USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 757 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 47 CYS SG : rot -143:sc= 0.0112 USER MOD Set 1.2: A 49 HIS : no HE2:sc= -4.23! C(o=-6!,f=-14!) USER MOD Set 1.3: A 50 CYS SG : rot 134:sc= -1.77 USER MOD Set 2.1: A 28 ASN : amide:sc= -2.22 K(o=-5.1,f=-3.7) USER MOD Set 2.2: A 33 GLN : amide:sc= -2.92! K(o=-5.1!,f=-3.2) USER MOD Set 3.1: A 23 THR OG1 : rot -95:sc= 1.15 USER MOD Set 3.2: A 26 ASN : amide:sc= -0.543 K(o=0.6,f=-3.5!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -149:sc= 1.72 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -2.13 X(o=-2.1,f=-2.2) USER MOD Single : A 54 THR OG1 : rot 91:sc= 0.926 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -139:sc= 0.174 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= -0.105 (180deg=-0.105) USER MOD Single : A 74 ASN : amide:sc= -6.71! C(o=-6.7!,f=-16!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS : no HD1:sc= -8.33! C(o=-8.3!,f=-6.6!) USER MOD Single : A 79 GLN : amide:sc= -0.0681 K(o=-0.068,f=-0.57) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 TYR OH : rot 83:sc= 0.682 USER MOD Single : A 88 GLN : amide:sc= -3.17 K(o=-3.2,f=-6.2!) USER MOD Single : A 92 THR OG1 : rot 12:sc= -0.452 USER MOD Single : A 94 LYS NZ :NH3+ -157:sc= 0.391 (180deg=0.222) USER MOD Single : A 99 ASN : amide:sc= -3.26! X(o=-3.3!,f=-3.3) USER MOD Single : A 100 LYS NZ :NH3+ 168:sc= 0.869 (180deg=0.771) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot 120:sc= -0.0523 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 195 N ASP A 18 7.749 2.524 -11.909 1.00 0.00 N ATOM 196 CA ASP A 18 7.374 1.115 -11.866 1.00 0.00 C ATOM 197 C ASP A 18 6.202 0.894 -10.915 1.00 0.00 C ATOM 198 O ASP A 18 5.719 -0.228 -10.758 1.00 0.00 O ATOM 199 CB ASP A 18 8.567 0.262 -11.432 1.00 0.00 C ATOM 200 CG ASP A 18 9.711 0.317 -12.425 1.00 0.00 C ATOM 201 OD1 ASP A 18 9.904 1.382 -13.047 1.00 0.00 O ATOM 202 OD2 ASP A 18 10.411 -0.705 -12.581 1.00 0.00 O ATOM 0 HA ASP A 18 7.067 0.814 -12.868 1.00 0.00 H new ATOM 0 HB2 ASP A 18 8.919 0.603 -10.458 1.00 0.00 H new ATOM 0 HB3 ASP A 18 8.245 -0.772 -11.310 1.00 0.00 H new ATOM 207 N VAL A 19 5.748 1.971 -10.283 1.00 0.00 N ATOM 208 CA VAL A 19 4.632 1.895 -9.348 1.00 0.00 C ATOM 209 C VAL A 19 3.300 1.823 -10.086 1.00 0.00 C ATOM 210 O VAL A 19 3.050 2.594 -11.013 1.00 0.00 O ATOM 211 CB VAL A 19 4.613 3.106 -8.396 1.00 0.00 C ATOM 212 CG1 VAL A 19 3.358 3.091 -7.537 1.00 0.00 C ATOM 213 CG2 VAL A 19 5.863 3.120 -7.528 1.00 0.00 C ATOM 0 H VAL A 19 6.136 2.907 -10.401 1.00 0.00 H new ATOM 0 HA VAL A 19 4.771 0.985 -8.764 1.00 0.00 H new ATOM 0 HB VAL A 19 4.603 4.017 -8.995 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.363 3.954 -6.871 1.00 0.00 H new ATOM 0 HG12 VAL A 19 2.478 3.132 -8.178 1.00 0.00 H new ATOM 0 HG13 VAL A 19 3.333 2.176 -6.945 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.833 3.982 -6.861 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.906 2.205 -6.937 1.00 0.00 H new ATOM 0 HG23 VAL A 19 6.746 3.183 -8.163 1.00 0.00 H new ATOM 223 N ILE A 20 2.448 0.893 -9.669 1.00 0.00 N ATOM 224 CA ILE A 20 1.141 0.721 -10.290 1.00 0.00 C ATOM 225 C ILE A 20 0.092 1.601 -9.617 1.00 0.00 C ATOM 226 O ILE A 20 -0.149 1.486 -8.416 1.00 0.00 O ATOM 227 CB ILE A 20 0.677 -0.747 -10.231 1.00 0.00 C ATOM 228 CG1 ILE A 20 1.582 -1.625 -11.099 1.00 0.00 C ATOM 229 CG2 ILE A 20 -0.772 -0.863 -10.680 1.00 0.00 C ATOM 230 CD1 ILE A 20 1.483 -3.099 -10.776 1.00 0.00 C ATOM 0 H ILE A 20 2.640 0.247 -8.903 1.00 0.00 H new ATOM 0 HA ILE A 20 1.247 1.018 -11.333 1.00 0.00 H new ATOM 0 HB ILE A 20 0.746 -1.094 -9.200 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.325 -1.473 -12.147 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.616 -1.303 -10.974 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.085 -1.906 -10.633 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -1.405 -0.264 -10.025 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -0.866 -0.502 -11.704 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.151 -3.660 -11.429 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.769 -3.264 -9.737 1.00 0.00 H new ATOM 0 HD13 ILE A 20 0.458 -3.437 -10.929 1.00 0.00 H new ATOM 242 N GLU A 21 -0.528 2.477 -10.400 1.00 0.00 N ATOM 243 CA GLU A 21 -1.552 3.376 -9.879 1.00 0.00 C ATOM 244 C GLU A 21 -2.786 2.595 -9.435 1.00 0.00 C ATOM 245 O GLU A 21 -3.646 2.256 -10.250 1.00 0.00 O ATOM 246 CB GLU A 21 -1.941 4.410 -10.937 1.00 0.00 C ATOM 247 CG GLU A 21 -2.866 5.497 -10.415 1.00 0.00 C ATOM 248 CD GLU A 21 -3.409 6.381 -11.520 1.00 0.00 C ATOM 249 OE1 GLU A 21 -4.134 5.860 -12.393 1.00 0.00 O ATOM 250 OE2 GLU A 21 -3.110 7.593 -11.512 1.00 0.00 O ATOM 0 H GLU A 21 -0.340 2.584 -11.397 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.139 3.893 -9.012 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.036 4.873 -11.330 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.426 3.901 -11.770 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.698 5.036 -9.882 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.327 6.112 -9.694 1.00 0.00 H new ATOM 257 N LEU A 22 -2.866 2.313 -8.140 1.00 0.00 N ATOM 258 CA LEU A 22 -3.994 1.572 -7.587 1.00 0.00 C ATOM 259 C LEU A 22 -5.181 2.496 -7.333 1.00 0.00 C ATOM 260 O LEU A 22 -5.016 3.622 -6.861 1.00 0.00 O ATOM 261 CB LEU A 22 -3.586 0.879 -6.286 1.00 0.00 C ATOM 262 CG LEU A 22 -2.719 -0.372 -6.435 1.00 0.00 C ATOM 263 CD1 LEU A 22 -2.392 -0.961 -5.072 1.00 0.00 C ATOM 264 CD2 LEU A 22 -3.417 -1.403 -7.310 1.00 0.00 C ATOM 0 H LEU A 22 -2.163 2.586 -7.453 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.293 0.818 -8.315 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.048 1.598 -5.668 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.491 0.607 -5.743 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.784 -0.087 -6.918 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.775 -1.850 -5.199 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.851 -0.225 -4.478 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.316 -1.231 -4.561 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.786 -2.287 -7.405 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.367 -1.683 -6.855 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.599 -0.979 -8.298 1.00 0.00 H new ATOM 276 N THR A 23 -6.379 2.013 -7.646 1.00 0.00 N ATOM 277 CA THR A 23 -7.594 2.794 -7.452 1.00 0.00 C ATOM 278 C THR A 23 -8.734 1.921 -6.941 1.00 0.00 C ATOM 279 O THR A 23 -8.714 0.696 -7.067 1.00 0.00 O ATOM 280 CB THR A 23 -8.034 3.483 -8.757 1.00 0.00 C ATOM 281 OG1 THR A 23 -8.944 2.640 -9.472 1.00 0.00 O ATOM 282 CG2 THR A 23 -6.832 3.799 -9.634 1.00 0.00 C ATOM 0 H THR A 23 -6.534 1.083 -8.036 1.00 0.00 H new ATOM 0 HA THR A 23 -7.363 3.556 -6.708 1.00 0.00 H new ATOM 0 HB THR A 23 -8.531 4.418 -8.499 1.00 0.00 H new ATOM 0 HG1 THR A 23 -8.450 2.112 -10.133 1.00 0.00 H new ATOM 0 HG21 THR A 23 -7.168 4.285 -10.550 1.00 0.00 H new ATOM 0 HG22 THR A 23 -6.155 4.464 -9.098 1.00 0.00 H new ATOM 0 HG23 THR A 23 -6.311 2.875 -9.884 1.00 0.00 H new ATOM 290 N PRO A 24 -9.754 2.562 -6.352 1.00 0.00 N ATOM 291 CA PRO A 24 -10.923 1.862 -5.812 1.00 0.00 C ATOM 292 C PRO A 24 -11.801 1.269 -6.908 1.00 0.00 C ATOM 293 O PRO A 24 -12.968 0.952 -6.678 1.00 0.00 O ATOM 294 CB PRO A 24 -11.677 2.960 -5.057 1.00 0.00 C ATOM 295 CG PRO A 24 -11.266 4.228 -5.724 1.00 0.00 C ATOM 296 CD PRO A 24 -9.844 4.020 -6.167 1.00 0.00 C ATOM 0 HA PRO A 24 -10.638 1.015 -5.187 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -12.755 2.813 -5.117 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -11.414 2.966 -3.999 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -11.911 4.449 -6.574 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -11.342 5.072 -5.039 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -9.629 4.556 -7.091 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -9.134 4.375 -5.420 1.00 0.00 H new ATOM 304 N SER A 25 -11.232 1.121 -8.100 1.00 0.00 N ATOM 305 CA SER A 25 -11.965 0.569 -9.234 1.00 0.00 C ATOM 306 C SER A 25 -11.263 -0.668 -9.784 1.00 0.00 C ATOM 307 O SER A 25 -11.885 -1.515 -10.424 1.00 0.00 O ATOM 308 CB SER A 25 -12.110 1.621 -10.336 1.00 0.00 C ATOM 309 OG SER A 25 -13.293 2.381 -10.164 1.00 0.00 O ATOM 0 H SER A 25 -10.266 1.375 -8.306 1.00 0.00 H new ATOM 0 HA SER A 25 -12.957 0.278 -8.887 1.00 0.00 H new ATOM 0 HB2 SER A 25 -11.244 2.283 -10.327 1.00 0.00 H new ATOM 0 HB3 SER A 25 -12.127 1.132 -11.310 1.00 0.00 H new ATOM 0 HG SER A 25 -13.361 3.047 -10.880 1.00 0.00 H new ATOM 315 N ASN A 26 -9.962 -0.765 -9.530 1.00 0.00 N ATOM 316 CA ASN A 26 -9.173 -1.898 -10.000 1.00 0.00 C ATOM 317 C ASN A 26 -8.462 -2.585 -8.838 1.00 0.00 C ATOM 318 O ASN A 26 -8.059 -3.744 -8.941 1.00 0.00 O ATOM 319 CB ASN A 26 -8.149 -1.437 -11.039 1.00 0.00 C ATOM 320 CG ASN A 26 -7.677 -0.017 -10.795 1.00 0.00 C ATOM 321 OD1 ASN A 26 -8.365 0.946 -11.137 1.00 0.00 O ATOM 322 ND2 ASN A 26 -6.498 0.121 -10.200 1.00 0.00 N ATOM 0 H ASN A 26 -9.432 -0.072 -9.001 1.00 0.00 H new ATOM 0 HA ASN A 26 -9.852 -2.615 -10.462 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -7.292 -2.110 -11.023 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -8.589 -1.505 -12.034 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -6.129 1.053 -10.009 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -5.961 -0.705 -9.934 1.00 0.00 H new ATOM 329 N PHE A 27 -8.311 -1.862 -7.733 1.00 0.00 N ATOM 330 CA PHE A 27 -7.648 -2.401 -6.552 1.00 0.00 C ATOM 331 C PHE A 27 -7.932 -3.893 -6.402 1.00 0.00 C ATOM 332 O PHE A 27 -7.074 -4.657 -5.963 1.00 0.00 O ATOM 333 CB PHE A 27 -8.108 -1.655 -5.298 1.00 0.00 C ATOM 334 CG PHE A 27 -7.307 -1.992 -4.072 1.00 0.00 C ATOM 335 CD1 PHE A 27 -7.334 -3.271 -3.541 1.00 0.00 C ATOM 336 CD2 PHE A 27 -6.528 -1.029 -3.451 1.00 0.00 C ATOM 337 CE1 PHE A 27 -6.599 -3.584 -2.414 1.00 0.00 C ATOM 338 CE2 PHE A 27 -5.790 -1.336 -2.324 1.00 0.00 C ATOM 339 CZ PHE A 27 -5.826 -2.615 -1.804 1.00 0.00 C ATOM 0 H PHE A 27 -8.639 -0.902 -7.631 1.00 0.00 H new ATOM 0 HA PHE A 27 -6.574 -2.264 -6.675 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -8.045 -0.582 -5.480 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -9.157 -1.886 -5.112 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.937 -4.032 -4.014 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -6.497 -0.027 -3.853 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.629 -4.585 -2.010 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -5.186 -0.577 -1.850 1.00 0.00 H new ATOM 0 HZ PHE A 27 -5.251 -2.857 -0.922 1.00 0.00 H new ATOM 349 N ASN A 28 -9.143 -4.299 -6.770 1.00 0.00 N ATOM 350 CA ASN A 28 -9.541 -5.698 -6.676 1.00 0.00 C ATOM 351 C ASN A 28 -8.996 -6.500 -7.854 1.00 0.00 C ATOM 352 O ASN A 28 -8.470 -7.599 -7.680 1.00 0.00 O ATOM 353 CB ASN A 28 -11.066 -5.814 -6.628 1.00 0.00 C ATOM 354 CG ASN A 28 -11.528 -7.210 -6.258 1.00 0.00 C ATOM 355 OD1 ASN A 28 -11.939 -7.460 -5.124 1.00 0.00 O ATOM 356 ND2 ASN A 28 -11.463 -8.128 -7.215 1.00 0.00 N ATOM 0 H ASN A 28 -9.865 -3.679 -7.136 1.00 0.00 H new ATOM 0 HA ASN A 28 -9.123 -6.107 -5.756 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -11.459 -5.100 -5.904 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -11.479 -5.543 -7.600 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -11.760 -9.085 -7.025 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -11.116 -7.876 -8.140 1.00 0.00 H new ATOM 363 N ARG A 29 -9.126 -5.941 -9.053 1.00 0.00 N ATOM 364 CA ARG A 29 -8.647 -6.603 -10.261 1.00 0.00 C ATOM 365 C ARG A 29 -7.132 -6.475 -10.387 1.00 0.00 C ATOM 366 O ARG A 29 -6.523 -7.056 -11.284 1.00 0.00 O ATOM 367 CB ARG A 29 -9.324 -6.008 -11.497 1.00 0.00 C ATOM 368 CG ARG A 29 -10.693 -6.602 -11.786 1.00 0.00 C ATOM 369 CD ARG A 29 -10.586 -8.045 -12.253 1.00 0.00 C ATOM 370 NE ARG A 29 -10.473 -8.144 -13.706 1.00 0.00 N ATOM 371 CZ ARG A 29 -9.315 -8.133 -14.356 1.00 0.00 C ATOM 372 NH1 ARG A 29 -8.176 -8.030 -13.685 1.00 0.00 N ATOM 373 NH2 ARG A 29 -9.294 -8.227 -15.679 1.00 0.00 N ATOM 0 H ARG A 29 -9.559 -5.032 -9.214 1.00 0.00 H new ATOM 0 HA ARG A 29 -8.900 -7.661 -10.190 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -9.425 -4.931 -11.362 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -8.680 -6.162 -12.363 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -11.309 -6.554 -10.888 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -11.195 -6.008 -12.549 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -9.717 -8.512 -11.789 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -11.463 -8.600 -11.919 1.00 0.00 H new ATOM 0 HE ARG A 29 -11.331 -8.226 -14.252 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -8.188 -7.959 -12.668 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -7.288 -8.022 -14.186 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -10.168 -8.308 -16.198 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -8.404 -8.218 -16.177 1.00 0.00 H new ATOM 387 N GLU A 30 -6.530 -5.710 -9.481 1.00 0.00 N ATOM 388 CA GLU A 30 -5.087 -5.505 -9.492 1.00 0.00 C ATOM 389 C GLU A 30 -4.420 -6.268 -8.351 1.00 0.00 C ATOM 390 O GLU A 30 -3.449 -6.996 -8.560 1.00 0.00 O ATOM 391 CB GLU A 30 -4.760 -4.014 -9.383 1.00 0.00 C ATOM 392 CG GLU A 30 -4.692 -3.306 -10.726 1.00 0.00 C ATOM 393 CD GLU A 30 -3.344 -3.465 -11.402 1.00 0.00 C ATOM 394 OE1 GLU A 30 -2.751 -4.559 -11.291 1.00 0.00 O ATOM 395 OE2 GLU A 30 -2.882 -2.497 -12.041 1.00 0.00 O ATOM 0 H GLU A 30 -7.020 -5.222 -8.731 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.699 -5.886 -10.437 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.515 -3.529 -8.764 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.805 -3.897 -8.871 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.471 -3.699 -11.380 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.900 -2.246 -10.584 1.00 0.00 H new ATOM 402 N VAL A 31 -4.947 -6.095 -7.144 1.00 0.00 N ATOM 403 CA VAL A 31 -4.405 -6.767 -5.969 1.00 0.00 C ATOM 404 C VAL A 31 -5.217 -8.010 -5.623 1.00 0.00 C ATOM 405 O VAL A 31 -4.711 -9.131 -5.685 1.00 0.00 O ATOM 406 CB VAL A 31 -4.378 -5.828 -4.748 1.00 0.00 C ATOM 407 CG1 VAL A 31 -3.861 -6.563 -3.521 1.00 0.00 C ATOM 408 CG2 VAL A 31 -3.530 -4.599 -5.040 1.00 0.00 C ATOM 0 H VAL A 31 -5.749 -5.495 -6.954 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.384 -7.061 -6.215 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.396 -5.498 -4.542 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.849 -5.884 -2.668 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.513 -7.409 -3.302 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.850 -6.924 -3.712 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.522 -3.947 -4.167 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.511 -4.907 -5.272 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.949 -4.061 -5.891 1.00 0.00 H new ATOM 418 N ILE A 32 -6.478 -7.803 -5.259 1.00 0.00 N ATOM 419 CA ILE A 32 -7.361 -8.908 -4.904 1.00 0.00 C ATOM 420 C ILE A 32 -7.327 -10.001 -5.966 1.00 0.00 C ATOM 421 O ILE A 32 -7.466 -11.184 -5.657 1.00 0.00 O ATOM 422 CB ILE A 32 -8.813 -8.431 -4.721 1.00 0.00 C ATOM 423 CG1 ILE A 32 -8.874 -7.289 -3.704 1.00 0.00 C ATOM 424 CG2 ILE A 32 -9.699 -9.587 -4.280 1.00 0.00 C ATOM 425 CD1 ILE A 32 -8.448 -7.697 -2.311 1.00 0.00 C ATOM 0 H ILE A 32 -6.911 -6.881 -5.202 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.998 -9.312 -3.959 1.00 0.00 H new ATOM 0 HB ILE A 32 -9.181 -8.061 -5.678 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -8.236 -6.474 -4.046 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -9.892 -6.902 -3.665 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -10.723 -9.234 -4.155 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -9.676 -10.372 -5.036 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -9.334 -9.984 -3.333 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -8.516 -6.838 -1.643 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -9.101 -8.491 -1.949 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -7.419 -8.056 -2.336 1.00 0.00 H new ATOM 437 N GLN A 33 -7.139 -9.597 -7.219 1.00 0.00 N ATOM 438 CA GLN A 33 -7.086 -10.543 -8.327 1.00 0.00 C ATOM 439 C GLN A 33 -5.642 -10.874 -8.691 1.00 0.00 C ATOM 440 O GLN A 33 -5.336 -11.176 -9.844 1.00 0.00 O ATOM 441 CB GLN A 33 -7.815 -9.976 -9.546 1.00 0.00 C ATOM 442 CG GLN A 33 -9.328 -9.971 -9.402 1.00 0.00 C ATOM 443 CD GLN A 33 -9.834 -11.096 -8.520 1.00 0.00 C ATOM 444 OE1 GLN A 33 -10.058 -12.213 -8.987 1.00 0.00 O ATOM 445 NE2 GLN A 33 -10.016 -10.807 -7.237 1.00 0.00 N ATOM 0 H GLN A 33 -7.021 -8.621 -7.492 1.00 0.00 H new ATOM 0 HA GLN A 33 -7.582 -11.461 -8.012 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -7.472 -8.957 -9.722 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -7.544 -10.560 -10.425 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -9.646 -9.016 -8.984 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -9.783 -10.055 -10.389 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.818 -9.868 -6.893 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -10.354 -11.524 -6.596 1.00 0.00 H new ATOM 454 N SER A 34 -4.758 -10.813 -7.700 1.00 0.00 N ATOM 455 CA SER A 34 -3.345 -11.102 -7.917 1.00 0.00 C ATOM 456 C SER A 34 -2.844 -12.144 -6.922 1.00 0.00 C ATOM 457 O SER A 34 -2.621 -11.841 -5.749 1.00 0.00 O ATOM 458 CB SER A 34 -2.517 -9.822 -7.794 1.00 0.00 C ATOM 459 OG SER A 34 -1.137 -10.089 -7.975 1.00 0.00 O ATOM 0 H SER A 34 -4.995 -10.566 -6.739 1.00 0.00 H new ATOM 0 HA SER A 34 -3.232 -11.504 -8.924 1.00 0.00 H new ATOM 0 HB2 SER A 34 -2.851 -9.096 -8.536 1.00 0.00 H new ATOM 0 HB3 SER A 34 -2.678 -9.373 -6.814 1.00 0.00 H new ATOM 0 HG SER A 34 -0.609 -9.461 -7.439 1.00 0.00 H new ATOM 465 N ASP A 35 -2.671 -13.372 -7.397 1.00 0.00 N ATOM 466 CA ASP A 35 -2.195 -14.460 -6.550 1.00 0.00 C ATOM 467 C ASP A 35 -0.856 -14.105 -5.910 1.00 0.00 C ATOM 468 O ASP A 35 -0.547 -14.551 -4.806 1.00 0.00 O ATOM 469 CB ASP A 35 -2.060 -15.747 -7.365 1.00 0.00 C ATOM 470 CG ASP A 35 -0.797 -15.771 -8.204 1.00 0.00 C ATOM 471 OD1 ASP A 35 0.297 -15.943 -7.626 1.00 0.00 O ATOM 472 OD2 ASP A 35 -0.903 -15.619 -9.439 1.00 0.00 O ATOM 0 H ASP A 35 -2.853 -13.640 -8.364 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.926 -14.617 -5.757 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -2.061 -16.603 -6.690 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.927 -15.854 -8.016 1.00 0.00 H new ATOM 477 N GLY A 36 -0.065 -13.299 -6.613 1.00 0.00 N ATOM 478 CA GLY A 36 1.231 -12.899 -6.098 1.00 0.00 C ATOM 479 C GLY A 36 1.121 -11.917 -4.949 1.00 0.00 C ATOM 480 O GLY A 36 0.022 -11.624 -4.477 1.00 0.00 O ATOM 0 H GLY A 36 -0.299 -12.917 -7.529 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.775 -13.783 -5.765 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.815 -12.449 -6.901 1.00 0.00 H new ATOM 484 N LEU A 37 2.262 -11.409 -4.496 1.00 0.00 N ATOM 485 CA LEU A 37 2.289 -10.455 -3.393 1.00 0.00 C ATOM 486 C LEU A 37 2.039 -9.036 -3.893 1.00 0.00 C ATOM 487 O LEU A 37 2.469 -8.668 -4.987 1.00 0.00 O ATOM 488 CB LEU A 37 3.634 -10.522 -2.668 1.00 0.00 C ATOM 489 CG LEU A 37 3.608 -10.201 -1.173 1.00 0.00 C ATOM 490 CD1 LEU A 37 3.046 -11.374 -0.385 1.00 0.00 C ATOM 491 CD2 LEU A 37 5.003 -9.845 -0.679 1.00 0.00 C ATOM 0 H LEU A 37 3.180 -11.642 -4.875 1.00 0.00 H new ATOM 0 HA LEU A 37 1.493 -10.720 -2.697 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.044 -11.524 -2.797 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.322 -9.831 -3.156 1.00 0.00 H new ATOM 0 HG LEU A 37 2.958 -9.340 -1.018 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.035 -11.127 0.677 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.030 -11.583 -0.719 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.670 -12.253 -0.547 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.965 -9.620 0.387 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.675 -10.687 -0.848 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.370 -8.973 -1.221 1.00 0.00 H new ATOM 503 N TRP A 38 1.343 -8.244 -3.086 1.00 0.00 N ATOM 504 CA TRP A 38 1.037 -6.864 -3.447 1.00 0.00 C ATOM 505 C TRP A 38 1.341 -5.919 -2.290 1.00 0.00 C ATOM 506 O TRP A 38 0.945 -6.168 -1.151 1.00 0.00 O ATOM 507 CB TRP A 38 -0.432 -6.735 -3.854 1.00 0.00 C ATOM 508 CG TRP A 38 -0.638 -6.727 -5.339 1.00 0.00 C ATOM 509 CD1 TRP A 38 -0.886 -7.806 -6.138 1.00 0.00 C ATOM 510 CD2 TRP A 38 -0.611 -5.584 -6.201 1.00 0.00 C ATOM 511 NE1 TRP A 38 -1.015 -7.403 -7.445 1.00 0.00 N ATOM 512 CE2 TRP A 38 -0.852 -6.045 -7.511 1.00 0.00 C ATOM 513 CE3 TRP A 38 -0.410 -4.217 -5.995 1.00 0.00 C ATOM 514 CZ2 TRP A 38 -0.895 -5.186 -8.606 1.00 0.00 C ATOM 515 CZ3 TRP A 38 -0.452 -3.366 -7.083 1.00 0.00 C ATOM 516 CH2 TRP A 38 -0.694 -3.852 -8.375 1.00 0.00 C ATOM 0 H TRP A 38 0.980 -8.533 -2.178 1.00 0.00 H new ATOM 0 HA TRP A 38 1.667 -6.588 -4.293 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -0.996 -7.561 -3.421 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -0.839 -5.816 -3.433 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -0.969 -8.826 -5.793 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -1.202 -8.016 -8.238 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -0.225 -3.832 -5.003 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -1.080 -5.559 -9.602 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -0.296 -2.308 -6.935 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -0.722 -3.161 -9.204 1.00 0.00 H new ATOM 527 N LEU A 39 2.046 -4.833 -2.588 1.00 0.00 N ATOM 528 CA LEU A 39 2.403 -3.849 -1.572 1.00 0.00 C ATOM 529 C LEU A 39 1.707 -2.517 -1.835 1.00 0.00 C ATOM 530 O LEU A 39 2.142 -1.733 -2.678 1.00 0.00 O ATOM 531 CB LEU A 39 3.919 -3.647 -1.540 1.00 0.00 C ATOM 532 CG LEU A 39 4.686 -4.486 -0.516 1.00 0.00 C ATOM 533 CD1 LEU A 39 6.167 -4.525 -0.861 1.00 0.00 C ATOM 534 CD2 LEU A 39 4.477 -3.937 0.887 1.00 0.00 C ATOM 0 H LEU A 39 2.382 -4.612 -3.525 1.00 0.00 H new ATOM 0 HA LEU A 39 2.072 -4.226 -0.604 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.316 -3.867 -2.531 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.121 -2.594 -1.342 1.00 0.00 H new ATOM 0 HG LEU A 39 4.300 -5.505 -0.546 1.00 0.00 H new ATOM 0 HD11 LEU A 39 6.697 -5.126 -0.122 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.299 -4.966 -1.849 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.568 -3.511 -0.859 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.030 -4.546 1.602 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.836 -2.909 0.933 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.415 -3.962 1.133 1.00 0.00 H new ATOM 546 N VAL A 40 0.624 -2.267 -1.105 1.00 0.00 N ATOM 547 CA VAL A 40 -0.130 -1.029 -1.257 1.00 0.00 C ATOM 548 C VAL A 40 0.181 -0.054 -0.127 1.00 0.00 C ATOM 549 O VAL A 40 -0.018 -0.366 1.047 1.00 0.00 O ATOM 550 CB VAL A 40 -1.647 -1.296 -1.286 1.00 0.00 C ATOM 551 CG1 VAL A 40 -2.408 -0.018 -1.601 1.00 0.00 C ATOM 552 CG2 VAL A 40 -1.976 -2.385 -2.297 1.00 0.00 C ATOM 0 H VAL A 40 0.250 -2.905 -0.403 1.00 0.00 H new ATOM 0 HA VAL A 40 0.173 -0.589 -2.207 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.957 -1.641 -0.300 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -3.478 -0.226 -1.617 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.195 0.730 -0.837 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.097 0.360 -2.575 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -3.052 -2.561 -2.305 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.653 -2.070 -3.289 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -1.460 -3.305 -2.022 1.00 0.00 H new ATOM 562 N GLU A 41 0.670 1.127 -0.490 1.00 0.00 N ATOM 563 CA GLU A 41 1.009 2.148 0.495 1.00 0.00 C ATOM 564 C GLU A 41 0.069 3.345 0.383 1.00 0.00 C ATOM 565 O GLU A 41 -0.092 3.924 -0.692 1.00 0.00 O ATOM 566 CB GLU A 41 2.458 2.605 0.311 1.00 0.00 C ATOM 567 CG GLU A 41 2.736 3.990 0.870 1.00 0.00 C ATOM 568 CD GLU A 41 2.763 5.058 -0.205 1.00 0.00 C ATOM 569 OE1 GLU A 41 1.996 4.935 -1.183 1.00 0.00 O ATOM 570 OE2 GLU A 41 3.551 6.017 -0.070 1.00 0.00 O ATOM 0 H GLU A 41 0.840 1.401 -1.458 1.00 0.00 H new ATOM 0 HA GLU A 41 0.897 1.711 1.487 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.120 1.888 0.795 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.701 2.596 -0.752 1.00 0.00 H new ATOM 0 HG2 GLU A 41 1.973 4.240 1.607 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.693 3.982 1.393 1.00 0.00 H new ATOM 577 N PHE A 42 -0.550 3.711 1.501 1.00 0.00 N ATOM 578 CA PHE A 42 -1.475 4.837 1.529 1.00 0.00 C ATOM 579 C PHE A 42 -0.747 6.130 1.885 1.00 0.00 C ATOM 580 O PHE A 42 -0.415 6.369 3.047 1.00 0.00 O ATOM 581 CB PHE A 42 -2.598 4.577 2.536 1.00 0.00 C ATOM 582 CG PHE A 42 -3.411 3.354 2.223 1.00 0.00 C ATOM 583 CD1 PHE A 42 -2.957 2.094 2.579 1.00 0.00 C ATOM 584 CD2 PHE A 42 -4.630 3.464 1.574 1.00 0.00 C ATOM 585 CE1 PHE A 42 -3.703 0.966 2.293 1.00 0.00 C ATOM 586 CE2 PHE A 42 -5.381 2.339 1.286 1.00 0.00 C ATOM 587 CZ PHE A 42 -4.916 1.089 1.645 1.00 0.00 C ATOM 0 H PHE A 42 -0.427 3.244 2.399 1.00 0.00 H new ATOM 0 HA PHE A 42 -1.906 4.946 0.534 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -2.166 4.472 3.531 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.257 5.444 2.565 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -2.009 1.992 3.086 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -4.998 4.439 1.290 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -3.338 -0.010 2.576 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -6.330 2.438 0.781 1.00 0.00 H new ATOM 0 HZ PHE A 42 -5.500 0.209 1.419 1.00 0.00 H new ATOM 597 N TYR A 43 -0.501 6.960 0.878 1.00 0.00 N ATOM 598 CA TYR A 43 0.190 8.227 1.083 1.00 0.00 C ATOM 599 C TYR A 43 -0.770 9.403 0.931 1.00 0.00 C ATOM 600 O TYR A 43 -1.944 9.222 0.611 1.00 0.00 O ATOM 601 CB TYR A 43 1.347 8.368 0.091 1.00 0.00 C ATOM 602 CG TYR A 43 0.903 8.726 -1.309 1.00 0.00 C ATOM 603 CD1 TYR A 43 0.574 10.035 -1.641 1.00 0.00 C ATOM 604 CD2 TYR A 43 0.813 7.757 -2.300 1.00 0.00 C ATOM 605 CE1 TYR A 43 0.167 10.367 -2.919 1.00 0.00 C ATOM 606 CE2 TYR A 43 0.409 8.080 -3.581 1.00 0.00 C ATOM 607 CZ TYR A 43 0.087 9.387 -3.885 1.00 0.00 C ATOM 608 OH TYR A 43 -0.317 9.713 -5.160 1.00 0.00 O ATOM 0 H TYR A 43 -0.770 6.778 -0.089 1.00 0.00 H new ATOM 0 HA TYR A 43 0.587 8.234 2.098 1.00 0.00 H new ATOM 0 HB2 TYR A 43 2.033 9.134 0.453 1.00 0.00 H new ATOM 0 HB3 TYR A 43 1.903 7.431 0.059 1.00 0.00 H new ATOM 0 HD1 TYR A 43 0.638 10.806 -0.887 1.00 0.00 H new ATOM 0 HD2 TYR A 43 1.063 6.733 -2.065 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.087 11.389 -3.160 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.346 7.314 -4.340 1.00 0.00 H new ATOM 0 HH TYR A 43 -0.318 8.908 -5.719 1.00 0.00 H new ATOM 618 N ALA A 44 -0.261 10.608 1.164 1.00 0.00 N ATOM 619 CA ALA A 44 -1.071 11.815 1.051 1.00 0.00 C ATOM 620 C ALA A 44 -0.323 12.910 0.298 1.00 0.00 C ATOM 621 O ALA A 44 0.754 13.349 0.701 1.00 0.00 O ATOM 622 CB ALA A 44 -1.482 12.306 2.431 1.00 0.00 C ATOM 0 H ALA A 44 0.709 10.775 1.432 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.968 11.569 0.483 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.086 13.208 2.331 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.063 11.533 2.934 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -0.591 12.529 3.018 1.00 0.00 H new ATOM 628 N PRO A 45 -0.906 13.363 -0.822 1.00 0.00 N ATOM 629 CA PRO A 45 -0.311 14.413 -1.654 1.00 0.00 C ATOM 630 C PRO A 45 -0.336 15.777 -0.973 1.00 0.00 C ATOM 631 O PRO A 45 0.046 16.785 -1.567 1.00 0.00 O ATOM 632 CB PRO A 45 -1.199 14.422 -2.901 1.00 0.00 C ATOM 633 CG PRO A 45 -2.509 13.887 -2.437 1.00 0.00 C ATOM 634 CD PRO A 45 -2.190 12.886 -1.362 1.00 0.00 C ATOM 0 HA PRO A 45 0.741 14.220 -1.864 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -1.303 15.429 -3.305 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -0.776 13.803 -3.692 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -3.142 14.686 -2.051 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -3.052 13.418 -3.258 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -2.964 12.860 -0.595 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -2.106 11.877 -1.765 1.00 0.00 H new ATOM 642 N TRP A 46 -0.787 15.801 0.276 1.00 0.00 N ATOM 643 CA TRP A 46 -0.861 17.042 1.039 1.00 0.00 C ATOM 644 C TRP A 46 0.047 16.983 2.263 1.00 0.00 C ATOM 645 O TRP A 46 0.354 18.011 2.869 1.00 0.00 O ATOM 646 CB TRP A 46 -2.303 17.315 1.469 1.00 0.00 C ATOM 647 CG TRP A 46 -2.933 16.166 2.196 1.00 0.00 C ATOM 648 CD1 TRP A 46 -3.919 15.343 1.730 1.00 0.00 C ATOM 649 CD2 TRP A 46 -2.622 15.714 3.519 1.00 0.00 C ATOM 650 NE1 TRP A 46 -4.239 14.407 2.684 1.00 0.00 N ATOM 651 CE2 TRP A 46 -3.458 14.612 3.790 1.00 0.00 C ATOM 652 CE3 TRP A 46 -1.719 16.131 4.500 1.00 0.00 C ATOM 653 CZ2 TRP A 46 -3.415 13.926 5.000 1.00 0.00 C ATOM 654 CZ3 TRP A 46 -1.678 15.449 5.701 1.00 0.00 C ATOM 655 CH2 TRP A 46 -2.521 14.356 5.943 1.00 0.00 C ATOM 0 H TRP A 46 -1.107 14.975 0.782 1.00 0.00 H new ATOM 0 HA TRP A 46 -0.521 17.855 0.398 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -2.323 18.196 2.110 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -2.900 17.549 0.587 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -4.379 15.417 0.756 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -4.945 13.677 2.584 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -1.065 16.972 4.323 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -4.064 13.084 5.188 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -0.984 15.764 6.467 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -2.464 13.843 6.892 1.00 0.00 H new ATOM 666 N CYS A 47 0.472 15.777 2.621 1.00 0.00 N ATOM 667 CA CYS A 47 1.344 15.586 3.775 1.00 0.00 C ATOM 668 C CYS A 47 2.808 15.763 3.385 1.00 0.00 C ATOM 669 O CYS A 47 3.128 15.979 2.217 1.00 0.00 O ATOM 670 CB CYS A 47 1.129 14.197 4.378 1.00 0.00 C ATOM 671 SG CYS A 47 1.346 14.130 6.172 1.00 0.00 S ATOM 0 H CYS A 47 0.228 14.917 2.130 1.00 0.00 H new ATOM 0 HA CYS A 47 1.091 16.341 4.520 1.00 0.00 H new ATOM 0 HB2 CYS A 47 0.123 13.857 4.131 1.00 0.00 H new ATOM 0 HB3 CYS A 47 1.824 13.499 3.912 1.00 0.00 H new ATOM 0 HG CYS A 47 1.919 13.010 6.498 1.00 0.00 H new ATOM 677 N GLY A 48 3.694 15.671 4.372 1.00 0.00 N ATOM 678 CA GLY A 48 5.113 15.825 4.113 1.00 0.00 C ATOM 679 C GLY A 48 5.835 14.495 4.028 1.00 0.00 C ATOM 680 O GLY A 48 6.263 14.080 2.950 1.00 0.00 O ATOM 0 H GLY A 48 3.454 15.492 5.347 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.252 16.370 3.179 1.00 0.00 H new ATOM 0 HA3 GLY A 48 5.560 16.428 4.904 1.00 0.00 H new ATOM 684 N HIS A 49 5.973 13.824 5.167 1.00 0.00 N ATOM 685 CA HIS A 49 6.649 12.533 5.218 1.00 0.00 C ATOM 686 C HIS A 49 6.178 11.628 4.083 1.00 0.00 C ATOM 687 O HIS A 49 6.867 10.679 3.706 1.00 0.00 O ATOM 688 CB HIS A 49 6.398 11.854 6.564 1.00 0.00 C ATOM 689 CG HIS A 49 4.973 11.933 7.019 1.00 0.00 C ATOM 690 ND1 HIS A 49 4.607 12.369 8.274 1.00 0.00 N ATOM 691 CD2 HIS A 49 3.821 11.629 6.376 1.00 0.00 C ATOM 692 CE1 HIS A 49 3.291 12.329 8.385 1.00 0.00 C ATOM 693 NE2 HIS A 49 2.790 11.884 7.247 1.00 0.00 N ATOM 0 H HIS A 49 5.625 14.153 6.068 1.00 0.00 H new ATOM 0 HA HIS A 49 7.719 12.707 5.101 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.690 10.806 6.493 1.00 0.00 H new ATOM 0 HB3 HIS A 49 7.037 12.313 7.318 1.00 0.00 H new ATOM 0 HD1 HIS A 49 5.251 12.675 9.003 1.00 0.00 H new ATOM 0 HD2 HIS A 49 3.730 11.256 5.367 1.00 0.00 H new ATOM 0 HE1 HIS A 49 2.722 12.612 9.258 1.00 0.00 H new ATOM 702 N CYS A 50 5.002 11.928 3.543 1.00 0.00 N ATOM 703 CA CYS A 50 4.438 11.141 2.453 1.00 0.00 C ATOM 704 C CYS A 50 5.058 11.539 1.117 1.00 0.00 C ATOM 705 O CYS A 50 5.467 10.684 0.333 1.00 0.00 O ATOM 706 CB CYS A 50 2.920 11.320 2.398 1.00 0.00 C ATOM 707 SG CYS A 50 2.019 10.362 3.638 1.00 0.00 S ATOM 0 H CYS A 50 4.421 12.711 3.843 1.00 0.00 H new ATOM 0 HA CYS A 50 4.666 10.092 2.641 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.684 12.376 2.529 1.00 0.00 H new ATOM 0 HB3 CYS A 50 2.567 11.035 1.407 1.00 0.00 H new ATOM 0 HG CYS A 50 1.128 11.118 4.207 1.00 0.00 H new ATOM 713 N GLN A 51 5.122 12.843 0.866 1.00 0.00 N ATOM 714 CA GLN A 51 5.690 13.354 -0.376 1.00 0.00 C ATOM 715 C GLN A 51 7.166 12.986 -0.492 1.00 0.00 C ATOM 716 O GLN A 51 7.712 12.913 -1.592 1.00 0.00 O ATOM 717 CB GLN A 51 5.524 14.873 -0.450 1.00 0.00 C ATOM 718 CG GLN A 51 4.073 15.326 -0.473 1.00 0.00 C ATOM 719 CD GLN A 51 3.925 16.821 -0.266 1.00 0.00 C ATOM 720 OE1 GLN A 51 4.903 17.567 -0.325 1.00 0.00 O ATOM 721 NE2 GLN A 51 2.698 17.266 -0.021 1.00 0.00 N ATOM 0 H GLN A 51 4.788 13.564 1.506 1.00 0.00 H new ATOM 0 HA GLN A 51 5.154 12.896 -1.207 1.00 0.00 H new ATOM 0 HB2 GLN A 51 6.024 15.327 0.406 1.00 0.00 H new ATOM 0 HB3 GLN A 51 6.025 15.242 -1.345 1.00 0.00 H new ATOM 0 HG2 GLN A 51 3.625 15.049 -1.427 1.00 0.00 H new ATOM 0 HG3 GLN A 51 3.519 14.799 0.304 1.00 0.00 H new ATOM 0 HE21 GLN A 51 1.917 16.612 0.019 1.00 0.00 H new ATOM 0 HE22 GLN A 51 2.537 18.262 0.127 1.00 0.00 H new ATOM 730 N ARG A 52 7.804 12.754 0.650 1.00 0.00 N ATOM 731 CA ARG A 52 9.217 12.395 0.676 1.00 0.00 C ATOM 732 C ARG A 52 9.395 10.883 0.573 1.00 0.00 C ATOM 733 O ARG A 52 10.519 10.381 0.526 1.00 0.00 O ATOM 734 CB ARG A 52 9.873 12.910 1.959 1.00 0.00 C ATOM 735 CG ARG A 52 9.248 12.354 3.228 1.00 0.00 C ATOM 736 CD ARG A 52 9.729 10.940 3.512 1.00 0.00 C ATOM 737 NE ARG A 52 9.532 10.565 4.910 1.00 0.00 N ATOM 738 CZ ARG A 52 10.333 10.956 5.896 1.00 0.00 C ATOM 739 NH1 ARG A 52 11.379 11.730 5.637 1.00 0.00 N ATOM 740 NH2 ARG A 52 10.088 10.574 7.142 1.00 0.00 N ATOM 0 H ARG A 52 7.365 12.808 1.569 1.00 0.00 H new ATOM 0 HA ARG A 52 9.700 12.861 -0.183 1.00 0.00 H new ATOM 0 HB2 ARG A 52 10.932 12.654 1.943 1.00 0.00 H new ATOM 0 HB3 ARG A 52 9.808 13.998 1.979 1.00 0.00 H new ATOM 0 HG2 ARG A 52 9.496 13.000 4.070 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.162 12.358 3.132 1.00 0.00 H new ATOM 0 HD2 ARG A 52 9.195 10.240 2.870 1.00 0.00 H new ATOM 0 HD3 ARG A 52 10.787 10.860 3.261 1.00 0.00 H new ATOM 0 HE ARG A 52 8.736 9.971 5.142 1.00 0.00 H new ATOM 0 HH11 ARG A 52 11.570 12.026 4.680 1.00 0.00 H new ATOM 0 HH12 ARG A 52 11.992 12.029 6.395 1.00 0.00 H new ATOM 0 HH21 ARG A 52 9.284 9.980 7.344 1.00 0.00 H new ATOM 0 HH22 ARG A 52 10.703 10.875 7.898 1.00 0.00 H new ATOM 754 N LEU A 53 8.280 10.162 0.540 1.00 0.00 N ATOM 755 CA LEU A 53 8.312 8.707 0.443 1.00 0.00 C ATOM 756 C LEU A 53 8.053 8.250 -0.989 1.00 0.00 C ATOM 757 O LEU A 53 7.936 7.055 -1.260 1.00 0.00 O ATOM 758 CB LEU A 53 7.275 8.090 1.383 1.00 0.00 C ATOM 759 CG LEU A 53 7.326 6.570 1.535 1.00 0.00 C ATOM 760 CD1 LEU A 53 8.675 6.134 2.086 1.00 0.00 C ATOM 761 CD2 LEU A 53 6.199 6.085 2.435 1.00 0.00 C ATOM 0 H LEU A 53 7.342 10.561 0.579 1.00 0.00 H new ATOM 0 HA LEU A 53 9.306 8.370 0.738 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.396 8.538 2.369 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.282 8.366 1.028 1.00 0.00 H new ATOM 0 HG LEU A 53 7.196 6.121 0.550 1.00 0.00 H new ATOM 0 HD11 LEU A 53 8.693 5.049 2.188 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.465 6.448 1.404 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.835 6.592 3.062 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.251 5.001 2.531 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.297 6.542 3.420 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.240 6.365 1.999 1.00 0.00 H new ATOM 773 N THR A 54 7.966 9.211 -1.904 1.00 0.00 N ATOM 774 CA THR A 54 7.722 8.908 -3.309 1.00 0.00 C ATOM 775 C THR A 54 8.887 8.135 -3.915 1.00 0.00 C ATOM 776 O THR A 54 8.713 7.079 -4.525 1.00 0.00 O ATOM 777 CB THR A 54 7.492 10.192 -4.128 1.00 0.00 C ATOM 778 OG1 THR A 54 7.045 11.248 -3.270 1.00 0.00 O ATOM 779 CG2 THR A 54 6.466 9.956 -5.226 1.00 0.00 C ATOM 0 H THR A 54 8.061 10.205 -1.697 1.00 0.00 H new ATOM 0 HA THR A 54 6.822 8.294 -3.348 1.00 0.00 H new ATOM 0 HB THR A 54 8.438 10.476 -4.590 1.00 0.00 H new ATOM 0 HG1 THR A 54 7.819 11.747 -2.935 1.00 0.00 H new ATOM 0 HG21 THR A 54 6.320 10.876 -5.791 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.822 9.172 -5.895 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.520 9.650 -4.780 1.00 0.00 H new ATOM 787 N PRO A 55 10.106 8.669 -3.745 1.00 0.00 N ATOM 788 CA PRO A 55 11.324 8.043 -4.267 1.00 0.00 C ATOM 789 C PRO A 55 11.678 6.757 -3.529 1.00 0.00 C ATOM 790 O PRO A 55 12.220 5.822 -4.118 1.00 0.00 O ATOM 791 CB PRO A 55 12.399 9.108 -4.031 1.00 0.00 C ATOM 792 CG PRO A 55 11.885 9.918 -2.891 1.00 0.00 C ATOM 793 CD PRO A 55 10.388 9.924 -3.029 1.00 0.00 C ATOM 0 HA PRO A 55 11.216 7.750 -5.311 1.00 0.00 H new ATOM 0 HB2 PRO A 55 13.361 8.654 -3.792 1.00 0.00 H new ATOM 0 HB3 PRO A 55 12.549 9.723 -4.918 1.00 0.00 H new ATOM 0 HG2 PRO A 55 12.187 9.485 -1.937 1.00 0.00 H new ATOM 0 HG3 PRO A 55 12.284 10.932 -2.922 1.00 0.00 H new ATOM 0 HD2 PRO A 55 9.895 9.952 -2.057 1.00 0.00 H new ATOM 0 HD3 PRO A 55 10.040 10.792 -3.588 1.00 0.00 H new ATOM 801 N GLU A 56 11.366 6.716 -2.237 1.00 0.00 N ATOM 802 CA GLU A 56 11.652 5.543 -1.420 1.00 0.00 C ATOM 803 C GLU A 56 10.743 4.378 -1.802 1.00 0.00 C ATOM 804 O GLU A 56 11.161 3.221 -1.787 1.00 0.00 O ATOM 805 CB GLU A 56 11.479 5.873 0.064 1.00 0.00 C ATOM 806 CG GLU A 56 12.530 6.830 0.602 1.00 0.00 C ATOM 807 CD GLU A 56 13.891 6.178 0.749 1.00 0.00 C ATOM 808 OE1 GLU A 56 14.134 5.154 0.075 1.00 0.00 O ATOM 809 OE2 GLU A 56 14.713 6.690 1.536 1.00 0.00 O ATOM 0 H GLU A 56 10.916 7.481 -1.735 1.00 0.00 H new ATOM 0 HA GLU A 56 12.686 5.249 -1.602 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.491 6.308 0.218 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.514 4.948 0.640 1.00 0.00 H new ATOM 0 HG2 GLU A 56 12.612 7.687 -0.067 1.00 0.00 H new ATOM 0 HG3 GLU A 56 12.207 7.211 1.571 1.00 0.00 H new ATOM 816 N TRP A 57 9.499 4.695 -2.144 1.00 0.00 N ATOM 817 CA TRP A 57 8.530 3.675 -2.530 1.00 0.00 C ATOM 818 C TRP A 57 8.770 3.211 -3.963 1.00 0.00 C ATOM 819 O TRP A 57 8.688 2.020 -4.262 1.00 0.00 O ATOM 820 CB TRP A 57 7.107 4.215 -2.387 1.00 0.00 C ATOM 821 CG TRP A 57 6.060 3.142 -2.398 1.00 0.00 C ATOM 822 CD1 TRP A 57 4.986 3.053 -3.237 1.00 0.00 C ATOM 823 CD2 TRP A 57 5.988 2.007 -1.529 1.00 0.00 C ATOM 824 NE1 TRP A 57 4.250 1.931 -2.941 1.00 0.00 N ATOM 825 CE2 TRP A 57 4.844 1.272 -1.898 1.00 0.00 C ATOM 826 CE3 TRP A 57 6.779 1.538 -0.476 1.00 0.00 C ATOM 827 CZ2 TRP A 57 4.474 0.096 -1.250 1.00 0.00 C ATOM 828 CZ3 TRP A 57 6.410 0.372 0.166 1.00 0.00 C ATOM 829 CH2 TRP A 57 5.267 -0.339 -0.222 1.00 0.00 C ATOM 0 H TRP A 57 9.138 5.649 -2.162 1.00 0.00 H new ATOM 0 HA TRP A 57 8.655 2.820 -1.866 1.00 0.00 H new ATOM 0 HB2 TRP A 57 7.031 4.777 -1.456 1.00 0.00 H new ATOM 0 HB3 TRP A 57 6.908 4.915 -3.199 1.00 0.00 H new ATOM 0 HD1 TRP A 57 4.750 3.760 -4.018 1.00 0.00 H new ATOM 0 HE1 TRP A 57 3.399 1.637 -3.420 1.00 0.00 H new ATOM 0 HE3 TRP A 57 7.663 2.078 -0.170 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 3.593 -0.453 -1.548 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 7.013 0.002 0.982 1.00 0.00 H new ATOM 0 HH2 TRP A 57 5.006 -1.248 0.300 1.00 0.00 H new ATOM 840 N LYS A 58 9.065 4.159 -4.845 1.00 0.00 N ATOM 841 CA LYS A 58 9.318 3.848 -6.247 1.00 0.00 C ATOM 842 C LYS A 58 10.447 2.831 -6.384 1.00 0.00 C ATOM 843 O LYS A 58 10.316 1.836 -7.097 1.00 0.00 O ATOM 844 CB LYS A 58 9.670 5.123 -7.018 1.00 0.00 C ATOM 845 CG LYS A 58 8.456 5.877 -7.533 1.00 0.00 C ATOM 846 CD LYS A 58 8.838 7.245 -8.074 1.00 0.00 C ATOM 847 CE LYS A 58 8.731 8.318 -7.002 1.00 0.00 C ATOM 848 NZ LYS A 58 8.877 9.687 -7.570 1.00 0.00 N ATOM 0 H LYS A 58 9.135 5.150 -4.614 1.00 0.00 H new ATOM 0 HA LYS A 58 8.410 3.415 -6.667 1.00 0.00 H new ATOM 0 HB2 LYS A 58 10.248 5.782 -6.370 1.00 0.00 H new ATOM 0 HB3 LYS A 58 10.310 4.863 -7.861 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.972 5.296 -8.318 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.730 5.993 -6.728 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.857 7.214 -8.458 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.189 7.500 -8.912 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.767 8.234 -6.500 1.00 0.00 H new ATOM 0 HE3 LYS A 58 9.500 8.154 -6.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 8.798 10.390 -6.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.807 9.776 -8.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.128 9.853 -8.272 1.00 0.00 H new ATOM 862 N LYS A 59 11.554 3.086 -5.695 1.00 0.00 N ATOM 863 CA LYS A 59 12.705 2.192 -5.737 1.00 0.00 C ATOM 864 C LYS A 59 12.279 0.746 -5.500 1.00 0.00 C ATOM 865 O LYS A 59 12.602 -0.142 -6.287 1.00 0.00 O ATOM 866 CB LYS A 59 13.739 2.609 -4.688 1.00 0.00 C ATOM 867 CG LYS A 59 14.737 3.636 -5.193 1.00 0.00 C ATOM 868 CD LYS A 59 15.740 4.015 -4.117 1.00 0.00 C ATOM 869 CE LYS A 59 15.138 4.984 -3.110 1.00 0.00 C ATOM 870 NZ LYS A 59 16.174 5.563 -2.210 1.00 0.00 N ATOM 0 H LYS A 59 11.678 3.905 -5.100 1.00 0.00 H new ATOM 0 HA LYS A 59 13.153 2.263 -6.728 1.00 0.00 H new ATOM 0 HB2 LYS A 59 13.220 3.015 -3.820 1.00 0.00 H new ATOM 0 HB3 LYS A 59 14.280 1.724 -4.351 1.00 0.00 H new ATOM 0 HG2 LYS A 59 15.265 3.237 -6.059 1.00 0.00 H new ATOM 0 HG3 LYS A 59 14.206 4.527 -5.527 1.00 0.00 H new ATOM 0 HD2 LYS A 59 16.079 3.117 -3.601 1.00 0.00 H new ATOM 0 HD3 LYS A 59 16.617 4.467 -4.579 1.00 0.00 H new ATOM 0 HE2 LYS A 59 14.627 5.788 -3.640 1.00 0.00 H new ATOM 0 HE3 LYS A 59 14.386 4.467 -2.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 15.805 5.606 -1.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 17.025 4.966 -2.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 16.416 6.522 -2.531 1.00 0.00 H new ATOM 884 N ALA A 60 11.552 0.519 -4.411 1.00 0.00 N ATOM 885 CA ALA A 60 11.080 -0.818 -4.072 1.00 0.00 C ATOM 886 C ALA A 60 10.222 -1.396 -5.192 1.00 0.00 C ATOM 887 O ALA A 60 10.268 -2.595 -5.467 1.00 0.00 O ATOM 888 CB ALA A 60 10.298 -0.787 -2.768 1.00 0.00 C ATOM 0 H ALA A 60 11.277 1.244 -3.748 1.00 0.00 H new ATOM 0 HA ALA A 60 11.950 -1.463 -3.945 1.00 0.00 H new ATOM 0 HB1 ALA A 60 9.952 -1.792 -2.527 1.00 0.00 H new ATOM 0 HB2 ALA A 60 10.941 -0.423 -1.967 1.00 0.00 H new ATOM 0 HB3 ALA A 60 9.440 -0.123 -2.874 1.00 0.00 H new ATOM 894 N ALA A 61 9.438 -0.536 -5.835 1.00 0.00 N ATOM 895 CA ALA A 61 8.570 -0.962 -6.926 1.00 0.00 C ATOM 896 C ALA A 61 9.386 -1.420 -8.130 1.00 0.00 C ATOM 897 O ALA A 61 9.032 -2.391 -8.801 1.00 0.00 O ATOM 898 CB ALA A 61 7.628 0.165 -7.322 1.00 0.00 C ATOM 0 H ALA A 61 9.386 0.460 -5.619 1.00 0.00 H new ATOM 0 HA ALA A 61 7.979 -1.809 -6.577 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.986 -0.167 -8.138 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.013 0.443 -6.466 1.00 0.00 H new ATOM 0 HB3 ALA A 61 8.209 1.028 -7.646 1.00 0.00 H new ATOM 904 N THR A 62 10.480 -0.715 -8.400 1.00 0.00 N ATOM 905 CA THR A 62 11.345 -1.047 -9.525 1.00 0.00 C ATOM 906 C THR A 62 11.940 -2.442 -9.368 1.00 0.00 C ATOM 907 O THR A 62 11.941 -3.236 -10.308 1.00 0.00 O ATOM 908 CB THR A 62 12.490 -0.027 -9.674 1.00 0.00 C ATOM 909 OG1 THR A 62 11.958 1.301 -9.729 1.00 0.00 O ATOM 910 CG2 THR A 62 13.303 -0.306 -10.929 1.00 0.00 C ATOM 0 H THR A 62 10.788 0.090 -7.855 1.00 0.00 H new ATOM 0 HA THR A 62 10.724 -1.018 -10.420 1.00 0.00 H new ATOM 0 HB THR A 62 13.145 -0.120 -8.808 1.00 0.00 H new ATOM 0 HG1 THR A 62 12.692 1.944 -9.822 1.00 0.00 H new ATOM 0 HG21 THR A 62 14.106 0.427 -11.013 1.00 0.00 H new ATOM 0 HG22 THR A 62 13.730 -1.307 -10.871 1.00 0.00 H new ATOM 0 HG23 THR A 62 12.657 -0.238 -11.804 1.00 0.00 H new ATOM 918 N ALA A 63 12.444 -2.734 -8.173 1.00 0.00 N ATOM 919 CA ALA A 63 13.039 -4.034 -7.892 1.00 0.00 C ATOM 920 C ALA A 63 11.967 -5.111 -7.757 1.00 0.00 C ATOM 921 O ALA A 63 12.062 -6.176 -8.369 1.00 0.00 O ATOM 922 CB ALA A 63 13.883 -3.966 -6.629 1.00 0.00 C ATOM 0 H ALA A 63 12.452 -2.087 -7.384 1.00 0.00 H new ATOM 0 HA ALA A 63 13.681 -4.301 -8.731 1.00 0.00 H new ATOM 0 HB1 ALA A 63 14.321 -4.944 -6.431 1.00 0.00 H new ATOM 0 HB2 ALA A 63 14.678 -3.232 -6.762 1.00 0.00 H new ATOM 0 HB3 ALA A 63 13.255 -3.673 -5.787 1.00 0.00 H new ATOM 928 N LEU A 64 10.949 -4.827 -6.953 1.00 0.00 N ATOM 929 CA LEU A 64 9.858 -5.772 -6.737 1.00 0.00 C ATOM 930 C LEU A 64 8.819 -5.667 -7.848 1.00 0.00 C ATOM 931 O LEU A 64 7.741 -6.255 -7.763 1.00 0.00 O ATOM 932 CB LEU A 64 9.199 -5.519 -5.380 1.00 0.00 C ATOM 933 CG LEU A 64 10.147 -5.217 -4.219 1.00 0.00 C ATOM 934 CD1 LEU A 64 9.388 -4.591 -3.059 1.00 0.00 C ATOM 935 CD2 LEU A 64 10.862 -6.483 -3.771 1.00 0.00 C ATOM 0 H LEU A 64 10.856 -3.951 -6.440 1.00 0.00 H new ATOM 0 HA LEU A 64 10.275 -6.779 -6.749 1.00 0.00 H new ATOM 0 HB2 LEU A 64 8.507 -4.683 -5.485 1.00 0.00 H new ATOM 0 HB3 LEU A 64 8.604 -6.394 -5.119 1.00 0.00 H new ATOM 0 HG LEU A 64 10.896 -4.504 -4.563 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.079 -4.383 -2.242 1.00 0.00 H new ATOM 0 HD12 LEU A 64 8.924 -3.661 -3.387 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.616 -5.280 -2.715 1.00 0.00 H new ATOM 0 HD21 LEU A 64 11.532 -6.249 -2.944 1.00 0.00 H new ATOM 0 HD22 LEU A 64 10.128 -7.220 -3.445 1.00 0.00 H new ATOM 0 HD23 LEU A 64 11.439 -6.889 -4.602 1.00 0.00 H new ATOM 947 N LYS A 65 9.150 -4.915 -8.892 1.00 0.00 N ATOM 948 CA LYS A 65 8.248 -4.735 -10.023 1.00 0.00 C ATOM 949 C LYS A 65 7.709 -6.077 -10.509 1.00 0.00 C ATOM 950 O LYS A 65 6.498 -6.259 -10.640 1.00 0.00 O ATOM 951 CB LYS A 65 8.968 -4.019 -11.168 1.00 0.00 C ATOM 952 CG LYS A 65 8.293 -4.196 -12.517 1.00 0.00 C ATOM 953 CD LYS A 65 9.070 -3.504 -13.624 1.00 0.00 C ATOM 954 CE LYS A 65 10.155 -4.406 -14.192 1.00 0.00 C ATOM 955 NZ LYS A 65 10.426 -4.113 -15.627 1.00 0.00 N ATOM 0 H LYS A 65 10.038 -4.420 -8.978 1.00 0.00 H new ATOM 0 HA LYS A 65 7.408 -4.124 -9.691 1.00 0.00 H new ATOM 0 HB2 LYS A 65 9.029 -2.955 -10.939 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.991 -4.391 -11.231 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.203 -5.258 -12.743 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.281 -3.793 -12.474 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.386 -3.210 -14.420 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.521 -2.590 -13.237 1.00 0.00 H new ATOM 0 HE2 LYS A 65 11.072 -4.278 -13.616 1.00 0.00 H new ATOM 0 HE3 LYS A 65 9.854 -5.448 -14.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.171 -4.749 -15.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.558 -4.259 -16.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.738 -3.126 -15.727 1.00 0.00 H new ATOM 969 N ASP A 66 8.614 -7.013 -10.772 1.00 0.00 N ATOM 970 CA ASP A 66 8.229 -8.339 -11.240 1.00 0.00 C ATOM 971 C ASP A 66 8.073 -9.304 -10.069 1.00 0.00 C ATOM 972 O ASP A 66 7.401 -10.330 -10.181 1.00 0.00 O ATOM 973 CB ASP A 66 9.267 -8.877 -12.226 1.00 0.00 C ATOM 974 CG ASP A 66 9.071 -8.331 -13.627 1.00 0.00 C ATOM 975 OD1 ASP A 66 7.919 -8.003 -13.980 1.00 0.00 O ATOM 976 OD2 ASP A 66 10.070 -8.233 -14.371 1.00 0.00 O ATOM 0 H ASP A 66 9.620 -6.878 -10.669 1.00 0.00 H new ATOM 0 HA ASP A 66 7.268 -8.253 -11.748 1.00 0.00 H new ATOM 0 HB2 ASP A 66 10.266 -8.619 -11.875 1.00 0.00 H new ATOM 0 HB3 ASP A 66 9.210 -9.965 -12.252 1.00 0.00 H new ATOM 981 N VAL A 67 8.701 -8.971 -8.946 1.00 0.00 N ATOM 982 CA VAL A 67 8.633 -9.808 -7.754 1.00 0.00 C ATOM 983 C VAL A 67 7.333 -9.574 -6.992 1.00 0.00 C ATOM 984 O VAL A 67 6.500 -10.473 -6.873 1.00 0.00 O ATOM 985 CB VAL A 67 9.822 -9.542 -6.813 1.00 0.00 C ATOM 986 CG1 VAL A 67 10.086 -10.753 -5.931 1.00 0.00 C ATOM 987 CG2 VAL A 67 11.062 -9.174 -7.613 1.00 0.00 C ATOM 0 H VAL A 67 9.263 -8.127 -8.837 1.00 0.00 H new ATOM 0 HA VAL A 67 8.672 -10.844 -8.092 1.00 0.00 H new ATOM 0 HB VAL A 67 9.571 -8.700 -6.167 1.00 0.00 H new ATOM 0 HG11 VAL A 67 10.930 -10.547 -5.273 1.00 0.00 H new ATOM 0 HG12 VAL A 67 9.201 -10.966 -5.331 1.00 0.00 H new ATOM 0 HG13 VAL A 67 10.316 -11.615 -6.557 1.00 0.00 H new ATOM 0 HG21 VAL A 67 11.893 -8.989 -6.932 1.00 0.00 H new ATOM 0 HG22 VAL A 67 11.318 -9.994 -8.284 1.00 0.00 H new ATOM 0 HG23 VAL A 67 10.865 -8.275 -8.197 1.00 0.00 H new ATOM 997 N VAL A 68 7.166 -8.360 -6.477 1.00 0.00 N ATOM 998 CA VAL A 68 5.966 -8.006 -5.727 1.00 0.00 C ATOM 999 C VAL A 68 5.335 -6.729 -6.271 1.00 0.00 C ATOM 1000 O VAL A 68 5.955 -5.666 -6.266 1.00 0.00 O ATOM 1001 CB VAL A 68 6.276 -7.816 -4.231 1.00 0.00 C ATOM 1002 CG1 VAL A 68 5.031 -7.367 -3.481 1.00 0.00 C ATOM 1003 CG2 VAL A 68 6.833 -9.100 -3.635 1.00 0.00 C ATOM 0 H VAL A 68 7.846 -7.605 -6.565 1.00 0.00 H new ATOM 0 HA VAL A 68 5.264 -8.832 -5.843 1.00 0.00 H new ATOM 0 HB VAL A 68 7.033 -7.038 -4.130 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.269 -7.238 -2.425 1.00 0.00 H new ATOM 0 HG12 VAL A 68 4.680 -6.421 -3.892 1.00 0.00 H new ATOM 0 HG13 VAL A 68 4.251 -8.121 -3.587 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.046 -8.947 -2.577 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.101 -9.900 -3.746 1.00 0.00 H new ATOM 0 HG23 VAL A 68 7.751 -9.374 -4.155 1.00 0.00 H new ATOM 1013 N LYS A 69 4.097 -6.842 -6.740 1.00 0.00 N ATOM 1014 CA LYS A 69 3.378 -5.696 -7.286 1.00 0.00 C ATOM 1015 C LYS A 69 3.256 -4.585 -6.249 1.00 0.00 C ATOM 1016 O LYS A 69 2.410 -4.645 -5.357 1.00 0.00 O ATOM 1017 CB LYS A 69 1.986 -6.121 -7.761 1.00 0.00 C ATOM 1018 CG LYS A 69 2.004 -6.946 -9.036 1.00 0.00 C ATOM 1019 CD LYS A 69 1.986 -6.063 -10.272 1.00 0.00 C ATOM 1020 CE LYS A 69 2.461 -6.820 -11.504 1.00 0.00 C ATOM 1021 NZ LYS A 69 2.747 -5.902 -12.641 1.00 0.00 N ATOM 0 H LYS A 69 3.570 -7.715 -6.753 1.00 0.00 H new ATOM 0 HA LYS A 69 3.945 -5.314 -8.135 1.00 0.00 H new ATOM 0 HB2 LYS A 69 1.502 -6.697 -6.972 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.379 -5.230 -7.923 1.00 0.00 H new ATOM 0 HG2 LYS A 69 2.894 -7.576 -9.050 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.142 -7.612 -9.051 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.976 -5.690 -10.440 1.00 0.00 H new ATOM 0 HD3 LYS A 69 2.623 -5.194 -10.109 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.360 -7.386 -11.259 1.00 0.00 H new ATOM 0 HE3 LYS A 69 1.701 -7.542 -11.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 3.068 -6.455 -13.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 1.883 -5.380 -12.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 3.490 -5.229 -12.365 1.00 0.00 H new ATOM 1035 N VAL A 70 4.106 -3.571 -6.372 1.00 0.00 N ATOM 1036 CA VAL A 70 4.092 -2.444 -5.446 1.00 0.00 C ATOM 1037 C VAL A 70 3.243 -1.299 -5.987 1.00 0.00 C ATOM 1038 O VAL A 70 3.687 -0.533 -6.842 1.00 0.00 O ATOM 1039 CB VAL A 70 5.516 -1.927 -5.170 1.00 0.00 C ATOM 1040 CG1 VAL A 70 5.475 -0.717 -4.249 1.00 0.00 C ATOM 1041 CG2 VAL A 70 6.377 -3.031 -4.575 1.00 0.00 C ATOM 0 H VAL A 70 4.813 -3.506 -7.104 1.00 0.00 H new ATOM 0 HA VAL A 70 3.658 -2.805 -4.514 1.00 0.00 H new ATOM 0 HB VAL A 70 5.962 -1.619 -6.116 1.00 0.00 H new ATOM 0 HG11 VAL A 70 6.490 -0.365 -4.065 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.895 0.078 -4.718 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.010 -0.995 -3.303 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.380 -2.648 -4.386 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.936 -3.371 -3.638 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.433 -3.866 -5.274 1.00 0.00 H new ATOM 1051 N GLY A 71 2.018 -1.188 -5.482 1.00 0.00 N ATOM 1052 CA GLY A 71 1.125 -0.133 -5.926 1.00 0.00 C ATOM 1053 C GLY A 71 1.125 1.058 -4.990 1.00 0.00 C ATOM 1054 O GLY A 71 1.842 1.070 -3.989 1.00 0.00 O ATOM 0 H GLY A 71 1.628 -1.810 -4.774 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.420 0.193 -6.923 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.112 -0.528 -6.006 1.00 0.00 H new ATOM 1058 N ALA A 72 0.320 2.065 -5.315 1.00 0.00 N ATOM 1059 CA ALA A 72 0.229 3.266 -4.495 1.00 0.00 C ATOM 1060 C ALA A 72 -1.183 3.840 -4.516 1.00 0.00 C ATOM 1061 O ALA A 72 -1.715 4.168 -5.576 1.00 0.00 O ATOM 1062 CB ALA A 72 1.231 4.307 -4.972 1.00 0.00 C ATOM 0 H ALA A 72 -0.278 2.072 -6.141 1.00 0.00 H new ATOM 0 HA ALA A 72 0.466 2.993 -3.467 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.152 5.199 -4.351 1.00 0.00 H new ATOM 0 HB2 ALA A 72 2.240 3.901 -4.898 1.00 0.00 H new ATOM 0 HB3 ALA A 72 1.019 4.567 -6.009 1.00 0.00 H new ATOM 1068 N VAL A 73 -1.787 3.957 -3.337 1.00 0.00 N ATOM 1069 CA VAL A 73 -3.139 4.492 -3.220 1.00 0.00 C ATOM 1070 C VAL A 73 -3.146 5.801 -2.439 1.00 0.00 C ATOM 1071 O VAL A 73 -2.684 5.859 -1.301 1.00 0.00 O ATOM 1072 CB VAL A 73 -4.081 3.489 -2.528 1.00 0.00 C ATOM 1073 CG1 VAL A 73 -5.230 4.217 -1.849 1.00 0.00 C ATOM 1074 CG2 VAL A 73 -4.603 2.470 -3.531 1.00 0.00 C ATOM 0 H VAL A 73 -1.361 3.689 -2.450 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.496 4.675 -4.233 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.517 2.956 -1.762 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -5.885 3.492 -1.366 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.834 4.904 -1.101 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.796 4.778 -2.593 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.267 1.769 -3.025 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -5.151 2.984 -4.320 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -3.765 1.926 -3.967 1.00 0.00 H new ATOM 1084 N ASN A 74 -3.676 6.850 -3.060 1.00 0.00 N ATOM 1085 CA ASN A 74 -3.744 8.161 -2.423 1.00 0.00 C ATOM 1086 C ASN A 74 -4.795 8.174 -1.317 1.00 0.00 C ATOM 1087 O ASN A 74 -5.955 8.508 -1.553 1.00 0.00 O ATOM 1088 CB ASN A 74 -4.065 9.239 -3.460 1.00 0.00 C ATOM 1089 CG ASN A 74 -4.232 10.611 -2.835 1.00 0.00 C ATOM 1090 OD1 ASN A 74 -3.975 10.799 -1.645 1.00 0.00 O ATOM 1091 ND2 ASN A 74 -4.665 11.577 -3.636 1.00 0.00 N ATOM 0 H ASN A 74 -4.064 6.818 -4.003 1.00 0.00 H new ATOM 0 HA ASN A 74 -2.772 8.373 -1.978 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -3.267 9.275 -4.201 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -4.979 8.970 -3.989 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -4.797 12.521 -3.272 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -4.865 11.376 -4.616 1.00 0.00 H new ATOM 1098 N ALA A 75 -4.379 7.808 -0.109 1.00 0.00 N ATOM 1099 CA ALA A 75 -5.283 7.781 1.034 1.00 0.00 C ATOM 1100 C ALA A 75 -6.176 9.017 1.058 1.00 0.00 C ATOM 1101 O ALA A 75 -7.359 8.934 1.390 1.00 0.00 O ATOM 1102 CB ALA A 75 -4.493 7.673 2.330 1.00 0.00 C ATOM 0 H ALA A 75 -3.422 7.526 0.103 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.924 6.904 0.938 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.181 7.654 3.175 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -3.903 6.756 2.321 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -3.828 8.531 2.423 1.00 0.00 H new ATOM 1108 N ASP A 76 -5.602 10.162 0.705 1.00 0.00 N ATOM 1109 CA ASP A 76 -6.346 11.416 0.686 1.00 0.00 C ATOM 1110 C ASP A 76 -7.494 11.351 -0.317 1.00 0.00 C ATOM 1111 O ASP A 76 -8.608 11.790 -0.032 1.00 0.00 O ATOM 1112 CB ASP A 76 -5.416 12.580 0.342 1.00 0.00 C ATOM 1113 CG ASP A 76 -6.131 13.917 0.360 1.00 0.00 C ATOM 1114 OD1 ASP A 76 -6.852 14.191 1.342 1.00 0.00 O ATOM 1115 OD2 ASP A 76 -5.971 14.689 -0.608 1.00 0.00 O ATOM 0 H ASP A 76 -4.624 10.248 0.428 1.00 0.00 H new ATOM 0 HA ASP A 76 -6.764 11.578 1.679 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -4.590 12.603 1.053 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -4.983 12.416 -0.645 1.00 0.00 H new ATOM 1120 N LYS A 77 -7.213 10.802 -1.494 1.00 0.00 N ATOM 1121 CA LYS A 77 -8.221 10.680 -2.541 1.00 0.00 C ATOM 1122 C LYS A 77 -9.069 9.429 -2.336 1.00 0.00 C ATOM 1123 O LYS A 77 -10.289 9.511 -2.194 1.00 0.00 O ATOM 1124 CB LYS A 77 -7.553 10.636 -3.918 1.00 0.00 C ATOM 1125 CG LYS A 77 -8.497 10.240 -5.040 1.00 0.00 C ATOM 1126 CD LYS A 77 -7.748 9.613 -6.203 1.00 0.00 C ATOM 1127 CE LYS A 77 -6.999 10.660 -7.013 1.00 0.00 C ATOM 1128 NZ LYS A 77 -6.034 10.041 -7.964 1.00 0.00 N ATOM 0 H LYS A 77 -6.296 10.434 -1.747 1.00 0.00 H new ATOM 0 HA LYS A 77 -8.872 11.552 -2.487 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -7.131 11.616 -4.139 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -6.723 9.931 -3.887 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -9.238 9.536 -4.662 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -9.040 11.119 -5.387 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -7.044 8.871 -5.826 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -8.451 9.087 -6.848 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -7.713 11.270 -7.566 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -6.465 11.328 -6.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -5.544 10.788 -8.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -5.337 9.479 -7.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -6.546 9.423 -8.625 1.00 0.00 H new ATOM 1142 N HIS A 78 -8.415 8.272 -2.321 1.00 0.00 N ATOM 1143 CA HIS A 78 -9.110 7.003 -2.131 1.00 0.00 C ATOM 1144 C HIS A 78 -9.360 6.738 -0.650 1.00 0.00 C ATOM 1145 O HIS A 78 -9.256 5.602 -0.188 1.00 0.00 O ATOM 1146 CB HIS A 78 -8.298 5.857 -2.736 1.00 0.00 C ATOM 1147 CG HIS A 78 -7.912 6.086 -4.165 1.00 0.00 C ATOM 1148 ND1 HIS A 78 -8.779 6.600 -5.106 1.00 0.00 N ATOM 1149 CD2 HIS A 78 -6.743 5.870 -4.812 1.00 0.00 C ATOM 1150 CE1 HIS A 78 -8.161 6.688 -6.270 1.00 0.00 C ATOM 1151 NE2 HIS A 78 -6.924 6.252 -6.119 1.00 0.00 N ATOM 0 H HIS A 78 -7.405 8.187 -2.438 1.00 0.00 H new ATOM 0 HA HIS A 78 -10.072 7.064 -2.639 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -7.395 5.710 -2.143 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -8.878 4.936 -2.668 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -5.837 5.471 -4.381 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -8.594 7.054 -7.189 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -6.218 6.206 -6.853 1.00 0.00 H new ATOM 1160 N GLN A 79 -9.690 7.793 0.088 1.00 0.00 N ATOM 1161 CA GLN A 79 -9.954 7.673 1.517 1.00 0.00 C ATOM 1162 C GLN A 79 -10.741 6.402 1.820 1.00 0.00 C ATOM 1163 O GLN A 79 -10.445 5.691 2.781 1.00 0.00 O ATOM 1164 CB GLN A 79 -10.724 8.895 2.020 1.00 0.00 C ATOM 1165 CG GLN A 79 -9.827 10.049 2.439 1.00 0.00 C ATOM 1166 CD GLN A 79 -10.495 10.974 3.437 1.00 0.00 C ATOM 1167 OE1 GLN A 79 -11.152 10.524 4.376 1.00 0.00 O ATOM 1168 NE2 GLN A 79 -10.329 12.277 3.239 1.00 0.00 N ATOM 0 H GLN A 79 -9.781 8.740 -0.280 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.996 7.618 2.034 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -11.399 9.237 1.236 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -11.343 8.601 2.867 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -8.910 9.652 2.875 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -9.539 10.620 1.556 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.776 12.606 2.447 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -10.754 12.948 3.879 1.00 0.00 H new ATOM 1177 N SER A 80 -11.745 6.122 0.996 1.00 0.00 N ATOM 1178 CA SER A 80 -12.578 4.939 1.178 1.00 0.00 C ATOM 1179 C SER A 80 -11.719 3.685 1.303 1.00 0.00 C ATOM 1180 O SER A 80 -11.893 2.888 2.226 1.00 0.00 O ATOM 1181 CB SER A 80 -13.552 4.789 0.008 1.00 0.00 C ATOM 1182 OG SER A 80 -14.533 3.804 0.284 1.00 0.00 O ATOM 0 H SER A 80 -12.002 6.699 0.195 1.00 0.00 H new ATOM 0 HA SER A 80 -13.146 5.063 2.100 1.00 0.00 H new ATOM 0 HB2 SER A 80 -14.037 5.745 -0.190 1.00 0.00 H new ATOM 0 HB3 SER A 80 -13.003 4.517 -0.894 1.00 0.00 H new ATOM 0 HG SER A 80 -15.144 3.728 -0.478 1.00 0.00 H new ATOM 1188 N LEU A 81 -10.790 3.515 0.368 1.00 0.00 N ATOM 1189 CA LEU A 81 -9.902 2.358 0.372 1.00 0.00 C ATOM 1190 C LEU A 81 -9.156 2.248 1.698 1.00 0.00 C ATOM 1191 O LEU A 81 -9.314 1.274 2.432 1.00 0.00 O ATOM 1192 CB LEU A 81 -8.903 2.453 -0.782 1.00 0.00 C ATOM 1193 CG LEU A 81 -9.470 2.214 -2.182 1.00 0.00 C ATOM 1194 CD1 LEU A 81 -8.391 2.412 -3.235 1.00 0.00 C ATOM 1195 CD2 LEU A 81 -10.068 0.818 -2.284 1.00 0.00 C ATOM 0 H LEU A 81 -10.632 4.164 -0.403 1.00 0.00 H new ATOM 0 HA LEU A 81 -10.511 1.463 0.244 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.447 3.443 -0.761 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -8.106 1.731 -0.606 1.00 0.00 H new ATOM 0 HG LEU A 81 -10.262 2.941 -2.362 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -8.812 2.238 -4.225 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.009 3.431 -3.177 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.577 1.709 -3.058 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.467 0.665 -3.287 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -9.295 0.076 -2.084 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.871 0.712 -1.554 1.00 0.00 H new ATOM 1207 N GLY A 82 -8.344 3.257 1.999 1.00 0.00 N ATOM 1208 CA GLY A 82 -7.587 3.255 3.238 1.00 0.00 C ATOM 1209 C GLY A 82 -8.468 3.054 4.455 1.00 0.00 C ATOM 1210 O GLY A 82 -8.272 2.112 5.222 1.00 0.00 O ATOM 0 H GLY A 82 -8.197 4.075 1.408 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.838 2.464 3.201 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -7.050 4.199 3.334 1.00 0.00 H new ATOM 1214 N GLY A 83 -9.440 3.943 4.634 1.00 0.00 N ATOM 1215 CA GLY A 83 -10.338 3.842 5.770 1.00 0.00 C ATOM 1216 C GLY A 83 -11.044 2.502 5.833 1.00 0.00 C ATOM 1217 O GLY A 83 -11.439 2.052 6.908 1.00 0.00 O ATOM 0 H GLY A 83 -9.622 4.731 4.013 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -9.774 3.996 6.690 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -11.080 4.638 5.714 1.00 0.00 H new ATOM 1221 N GLN A 84 -11.204 1.863 4.678 1.00 0.00 N ATOM 1222 CA GLN A 84 -11.869 0.568 4.607 1.00 0.00 C ATOM 1223 C GLN A 84 -10.999 -0.525 5.218 1.00 0.00 C ATOM 1224 O GLN A 84 -11.478 -1.619 5.519 1.00 0.00 O ATOM 1225 CB GLN A 84 -12.201 0.220 3.155 1.00 0.00 C ATOM 1226 CG GLN A 84 -12.891 -1.125 2.994 1.00 0.00 C ATOM 1227 CD GLN A 84 -13.597 -1.263 1.660 1.00 0.00 C ATOM 1228 OE1 GLN A 84 -14.822 -1.171 1.581 1.00 0.00 O ATOM 1229 NE2 GLN A 84 -12.826 -1.484 0.601 1.00 0.00 N ATOM 0 H GLN A 84 -10.882 2.222 3.779 1.00 0.00 H new ATOM 0 HA GLN A 84 -12.795 0.632 5.179 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -12.841 0.999 2.741 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -11.281 0.219 2.571 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -12.154 -1.922 3.095 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -13.614 -1.257 3.799 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -11.814 -1.553 0.712 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -13.246 -1.584 -0.323 1.00 0.00 H new ATOM 1238 N TYR A 85 -9.718 -0.223 5.397 1.00 0.00 N ATOM 1239 CA TYR A 85 -8.779 -1.182 5.969 1.00 0.00 C ATOM 1240 C TYR A 85 -8.435 -0.813 7.409 1.00 0.00 C ATOM 1241 O TYR A 85 -8.328 -1.680 8.275 1.00 0.00 O ATOM 1242 CB TYR A 85 -7.504 -1.243 5.127 1.00 0.00 C ATOM 1243 CG TYR A 85 -7.647 -2.070 3.870 1.00 0.00 C ATOM 1244 CD1 TYR A 85 -8.556 -1.715 2.881 1.00 0.00 C ATOM 1245 CD2 TYR A 85 -6.875 -3.208 3.671 1.00 0.00 C ATOM 1246 CE1 TYR A 85 -8.692 -2.468 1.731 1.00 0.00 C ATOM 1247 CE2 TYR A 85 -7.003 -3.966 2.523 1.00 0.00 C ATOM 1248 CZ TYR A 85 -7.912 -3.592 1.556 1.00 0.00 C ATOM 1249 OH TYR A 85 -8.043 -4.346 0.413 1.00 0.00 O ATOM 0 H TYR A 85 -9.306 0.678 5.155 1.00 0.00 H new ATOM 0 HA TYR A 85 -9.254 -2.163 5.968 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -7.211 -0.229 4.853 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -6.698 -1.656 5.733 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -9.167 -0.835 3.014 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -6.163 -3.505 4.427 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -9.405 -2.178 0.973 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -6.394 -4.847 2.384 1.00 0.00 H new ATOM 0 HH TYR A 85 -7.513 -3.944 -0.307 1.00 0.00 H new ATOM 1259 N GLY A 86 -8.262 0.482 7.657 1.00 0.00 N ATOM 1260 CA GLY A 86 -7.932 0.944 8.992 1.00 0.00 C ATOM 1261 C GLY A 86 -6.804 1.957 8.993 1.00 0.00 C ATOM 1262 O GLY A 86 -6.048 2.054 9.960 1.00 0.00 O ATOM 0 H GLY A 86 -8.345 1.219 6.957 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -8.816 1.389 9.448 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -7.650 0.091 9.609 1.00 0.00 H new ATOM 1266 N VAL A 87 -6.688 2.712 7.905 1.00 0.00 N ATOM 1267 CA VAL A 87 -5.644 3.722 7.783 1.00 0.00 C ATOM 1268 C VAL A 87 -6.041 5.012 8.492 1.00 0.00 C ATOM 1269 O VAL A 87 -7.075 5.605 8.188 1.00 0.00 O ATOM 1270 CB VAL A 87 -5.335 4.035 6.307 1.00 0.00 C ATOM 1271 CG1 VAL A 87 -4.102 4.919 6.195 1.00 0.00 C ATOM 1272 CG2 VAL A 87 -5.152 2.748 5.517 1.00 0.00 C ATOM 0 H VAL A 87 -7.305 2.643 7.095 1.00 0.00 H new ATOM 0 HA VAL A 87 -4.751 3.312 8.254 1.00 0.00 H new ATOM 0 HB VAL A 87 -6.181 4.577 5.884 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -3.899 5.129 5.145 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -4.276 5.855 6.726 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -3.246 4.407 6.634 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -4.934 2.988 4.476 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -4.325 2.177 5.938 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -6.066 2.156 5.569 1.00 0.00 H new ATOM 1282 N GLN A 88 -5.212 5.440 9.439 1.00 0.00 N ATOM 1283 CA GLN A 88 -5.478 6.660 10.191 1.00 0.00 C ATOM 1284 C GLN A 88 -4.316 7.640 10.067 1.00 0.00 C ATOM 1285 O GLN A 88 -4.517 8.852 10.005 1.00 0.00 O ATOM 1286 CB GLN A 88 -5.728 6.332 11.664 1.00 0.00 C ATOM 1287 CG GLN A 88 -4.585 5.575 12.321 1.00 0.00 C ATOM 1288 CD GLN A 88 -3.546 6.497 12.927 1.00 0.00 C ATOM 1289 OE1 GLN A 88 -2.421 6.592 12.435 1.00 0.00 O ATOM 1290 NE2 GLN A 88 -3.918 7.184 14.001 1.00 0.00 N ATOM 0 H GLN A 88 -4.352 4.960 9.703 1.00 0.00 H new ATOM 0 HA GLN A 88 -6.370 7.127 9.773 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -5.900 7.260 12.210 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -6.640 5.740 11.746 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -4.985 4.924 13.098 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -4.108 4.932 11.581 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -4.861 7.075 14.375 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -3.261 7.821 14.452 1.00 0.00 H new ATOM 1299 N GLY A 89 -3.099 7.106 10.032 1.00 0.00 N ATOM 1300 CA GLY A 89 -1.922 7.948 9.916 1.00 0.00 C ATOM 1301 C GLY A 89 -0.985 7.487 8.819 1.00 0.00 C ATOM 1302 O GLY A 89 -0.493 6.358 8.846 1.00 0.00 O ATOM 0 H GLY A 89 -2.907 6.106 10.082 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.231 8.974 9.718 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -1.388 7.954 10.866 1.00 0.00 H new ATOM 1306 N PHE A 90 -0.737 8.360 7.848 1.00 0.00 N ATOM 1307 CA PHE A 90 0.146 8.035 6.734 1.00 0.00 C ATOM 1308 C PHE A 90 1.550 8.581 6.976 1.00 0.00 C ATOM 1309 O PHE A 90 1.763 9.479 7.790 1.00 0.00 O ATOM 1310 CB PHE A 90 -0.416 8.601 5.428 1.00 0.00 C ATOM 1311 CG PHE A 90 -1.878 8.936 5.501 1.00 0.00 C ATOM 1312 CD1 PHE A 90 -2.752 8.135 6.217 1.00 0.00 C ATOM 1313 CD2 PHE A 90 -2.379 10.054 4.852 1.00 0.00 C ATOM 1314 CE1 PHE A 90 -4.098 8.441 6.285 1.00 0.00 C ATOM 1315 CE2 PHE A 90 -3.724 10.365 4.916 1.00 0.00 C ATOM 1316 CZ PHE A 90 -4.584 9.558 5.635 1.00 0.00 C ATOM 0 H PHE A 90 -1.135 9.298 7.810 1.00 0.00 H new ATOM 0 HA PHE A 90 0.206 6.950 6.655 1.00 0.00 H new ATOM 0 HB2 PHE A 90 0.141 9.499 5.161 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -0.257 7.877 4.629 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -2.377 7.261 6.728 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -1.710 10.689 4.290 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -4.769 7.807 6.846 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -4.102 11.238 4.405 1.00 0.00 H new ATOM 0 HZ PHE A 90 -5.635 9.800 5.689 1.00 0.00 H new ATOM 1326 N PRO A 91 2.533 8.026 6.251 1.00 0.00 N ATOM 1327 CA PRO A 91 2.292 6.955 5.279 1.00 0.00 C ATOM 1328 C PRO A 91 1.909 5.640 5.948 1.00 0.00 C ATOM 1329 O PRO A 91 2.350 5.344 7.059 1.00 0.00 O ATOM 1330 CB PRO A 91 3.638 6.818 4.562 1.00 0.00 C ATOM 1331 CG PRO A 91 4.642 7.315 5.543 1.00 0.00 C ATOM 1332 CD PRO A 91 3.956 8.400 6.326 1.00 0.00 C ATOM 0 HA PRO A 91 1.460 7.188 4.614 1.00 0.00 H new ATOM 0 HB2 PRO A 91 3.835 5.783 4.284 1.00 0.00 H new ATOM 0 HB3 PRO A 91 3.659 7.404 3.643 1.00 0.00 H new ATOM 0 HG2 PRO A 91 4.976 6.512 6.200 1.00 0.00 H new ATOM 0 HG3 PRO A 91 5.526 7.700 5.035 1.00 0.00 H new ATOM 0 HD2 PRO A 91 4.308 8.436 7.357 1.00 0.00 H new ATOM 0 HD3 PRO A 91 4.136 9.384 5.893 1.00 0.00 H new ATOM 1340 N THR A 92 1.086 4.851 5.264 1.00 0.00 N ATOM 1341 CA THR A 92 0.643 3.567 5.793 1.00 0.00 C ATOM 1342 C THR A 92 0.819 2.458 4.762 1.00 0.00 C ATOM 1343 O THR A 92 0.018 2.325 3.836 1.00 0.00 O ATOM 1344 CB THR A 92 -0.834 3.618 6.228 1.00 0.00 C ATOM 1345 OG1 THR A 92 -0.983 4.490 7.354 1.00 0.00 O ATOM 1346 CG2 THR A 92 -1.341 2.229 6.585 1.00 0.00 C ATOM 0 H THR A 92 0.713 5.079 4.342 1.00 0.00 H new ATOM 0 HA THR A 92 1.263 3.353 6.663 1.00 0.00 H new ATOM 0 HB THR A 92 -1.423 3.999 5.394 1.00 0.00 H new ATOM 0 HG1 THR A 92 -0.157 5.001 7.483 1.00 0.00 H new ATOM 0 HG21 THR A 92 -2.386 2.290 6.889 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.253 1.575 5.717 1.00 0.00 H new ATOM 0 HG23 THR A 92 -0.748 1.825 7.405 1.00 0.00 H new ATOM 1354 N ILE A 93 1.871 1.664 4.929 1.00 0.00 N ATOM 1355 CA ILE A 93 2.151 0.565 4.013 1.00 0.00 C ATOM 1356 C ILE A 93 1.441 -0.711 4.452 1.00 0.00 C ATOM 1357 O ILE A 93 1.456 -1.069 5.630 1.00 0.00 O ATOM 1358 CB ILE A 93 3.662 0.288 3.910 1.00 0.00 C ATOM 1359 CG1 ILE A 93 4.396 1.529 3.396 1.00 0.00 C ATOM 1360 CG2 ILE A 93 3.922 -0.903 3.000 1.00 0.00 C ATOM 1361 CD1 ILE A 93 5.832 1.618 3.863 1.00 0.00 C ATOM 0 H ILE A 93 2.543 1.761 5.690 1.00 0.00 H new ATOM 0 HA ILE A 93 1.778 0.868 3.035 1.00 0.00 H new ATOM 0 HB ILE A 93 4.041 0.050 4.904 1.00 0.00 H new ATOM 0 HG12 ILE A 93 4.376 1.528 2.306 1.00 0.00 H new ATOM 0 HG13 ILE A 93 3.860 2.420 3.723 1.00 0.00 H new ATOM 0 HG21 ILE A 93 4.995 -1.086 2.938 1.00 0.00 H new ATOM 0 HG22 ILE A 93 3.426 -1.785 3.405 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.531 -0.692 2.004 1.00 0.00 H new ATOM 0 HD11 ILE A 93 6.290 2.522 3.461 1.00 0.00 H new ATOM 0 HD12 ILE A 93 5.859 1.651 4.952 1.00 0.00 H new ATOM 0 HD13 ILE A 93 6.383 0.745 3.513 1.00 0.00 H new ATOM 1373 N LYS A 94 0.820 -1.395 3.497 1.00 0.00 N ATOM 1374 CA LYS A 94 0.106 -2.634 3.783 1.00 0.00 C ATOM 1375 C LYS A 94 0.594 -3.763 2.882 1.00 0.00 C ATOM 1376 O LYS A 94 0.847 -3.558 1.695 1.00 0.00 O ATOM 1377 CB LYS A 94 -1.400 -2.433 3.598 1.00 0.00 C ATOM 1378 CG LYS A 94 -2.069 -1.729 4.766 1.00 0.00 C ATOM 1379 CD LYS A 94 -2.269 -2.669 5.943 1.00 0.00 C ATOM 1380 CE LYS A 94 -3.239 -2.088 6.961 1.00 0.00 C ATOM 1381 NZ LYS A 94 -3.479 -3.024 8.094 1.00 0.00 N ATOM 0 H LYS A 94 0.797 -1.112 2.517 1.00 0.00 H new ATOM 0 HA LYS A 94 0.305 -2.908 4.819 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.572 -1.855 2.690 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.872 -3.404 3.452 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -1.461 -0.880 5.077 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -3.033 -1.332 4.449 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -2.646 -3.627 5.585 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -1.309 -2.863 6.422 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -2.843 -1.147 7.344 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -4.186 -1.860 6.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -4.390 -2.800 8.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -3.500 -4.001 7.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -2.715 -2.926 8.793 1.00 0.00 H new ATOM 1395 N ILE A 95 0.722 -4.956 3.454 1.00 0.00 N ATOM 1396 CA ILE A 95 1.177 -6.118 2.701 1.00 0.00 C ATOM 1397 C ILE A 95 0.012 -7.038 2.353 1.00 0.00 C ATOM 1398 O ILE A 95 -0.817 -7.357 3.205 1.00 0.00 O ATOM 1399 CB ILE A 95 2.233 -6.919 3.485 1.00 0.00 C ATOM 1400 CG1 ILE A 95 3.502 -6.085 3.674 1.00 0.00 C ATOM 1401 CG2 ILE A 95 2.551 -8.222 2.767 1.00 0.00 C ATOM 1402 CD1 ILE A 95 4.258 -6.414 4.942 1.00 0.00 C ATOM 0 H ILE A 95 0.517 -5.143 4.436 1.00 0.00 H new ATOM 0 HA ILE A 95 1.627 -5.742 1.782 1.00 0.00 H new ATOM 0 HB ILE A 95 1.829 -7.158 4.469 1.00 0.00 H new ATOM 0 HG12 ILE A 95 4.159 -6.239 2.818 1.00 0.00 H new ATOM 0 HG13 ILE A 95 3.235 -5.028 3.684 1.00 0.00 H new ATOM 0 HG21 ILE A 95 3.299 -8.777 3.334 1.00 0.00 H new ATOM 0 HG22 ILE A 95 1.644 -8.820 2.680 1.00 0.00 H new ATOM 0 HG23 ILE A 95 2.938 -8.004 1.772 1.00 0.00 H new ATOM 0 HD11 ILE A 95 5.146 -5.785 5.010 1.00 0.00 H new ATOM 0 HD12 ILE A 95 3.617 -6.232 5.805 1.00 0.00 H new ATOM 0 HD13 ILE A 95 4.557 -7.462 4.926 1.00 0.00 H new ATOM 1414 N PHE A 96 -0.043 -7.464 1.095 1.00 0.00 N ATOM 1415 CA PHE A 96 -1.107 -8.349 0.634 1.00 0.00 C ATOM 1416 C PHE A 96 -0.543 -9.703 0.214 1.00 0.00 C ATOM 1417 O PHE A 96 0.346 -9.782 -0.633 1.00 0.00 O ATOM 1418 CB PHE A 96 -1.858 -7.711 -0.537 1.00 0.00 C ATOM 1419 CG PHE A 96 -2.812 -6.629 -0.119 1.00 0.00 C ATOM 1420 CD1 PHE A 96 -2.341 -5.391 0.287 1.00 0.00 C ATOM 1421 CD2 PHE A 96 -4.179 -6.850 -0.131 1.00 0.00 C ATOM 1422 CE1 PHE A 96 -3.216 -4.393 0.672 1.00 0.00 C ATOM 1423 CE2 PHE A 96 -5.059 -5.856 0.253 1.00 0.00 C ATOM 1424 CZ PHE A 96 -4.577 -4.626 0.656 1.00 0.00 C ATOM 0 H PHE A 96 0.636 -7.211 0.377 1.00 0.00 H new ATOM 0 HA PHE A 96 -1.801 -8.504 1.460 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -1.135 -7.296 -1.239 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -2.410 -8.485 -1.069 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -1.277 -5.204 0.303 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -4.562 -7.810 -0.444 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -2.836 -3.432 0.985 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -6.123 -6.041 0.238 1.00 0.00 H new ATOM 0 HZ PHE A 96 -5.263 -3.848 0.958 1.00 0.00 H new ATOM 1434 N GLY A 97 -1.067 -10.768 0.814 1.00 0.00 N ATOM 1435 CA GLY A 97 -0.604 -12.105 0.490 1.00 0.00 C ATOM 1436 C GLY A 97 -1.575 -13.179 0.939 1.00 0.00 C ATOM 1437 O GLY A 97 -2.497 -13.537 0.206 1.00 0.00 O ATOM 0 H GLY A 97 -1.804 -10.729 1.518 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -0.453 -12.183 -0.587 1.00 0.00 H new ATOM 0 HA3 GLY A 97 0.364 -12.275 0.961 1.00 0.00 H new ATOM 1441 N ALA A 98 -1.367 -13.696 2.145 1.00 0.00 N ATOM 1442 CA ALA A 98 -2.231 -14.735 2.691 1.00 0.00 C ATOM 1443 C ALA A 98 -3.701 -14.409 2.450 1.00 0.00 C ATOM 1444 O ALA A 98 -4.383 -15.096 1.690 1.00 0.00 O ATOM 1445 CB ALA A 98 -1.966 -14.916 4.178 1.00 0.00 C ATOM 0 H ALA A 98 -0.607 -13.412 2.763 1.00 0.00 H new ATOM 0 HA ALA A 98 -2.003 -15.669 2.177 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -2.619 -15.695 4.572 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -0.926 -15.203 4.330 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -2.164 -13.979 4.699 1.00 0.00 H new ATOM 1451 N ASN A 99 -4.184 -13.356 3.103 1.00 0.00 N ATOM 1452 CA ASN A 99 -5.574 -12.940 2.960 1.00 0.00 C ATOM 1453 C ASN A 99 -5.668 -11.587 2.260 1.00 0.00 C ATOM 1454 O ASN A 99 -5.483 -10.540 2.881 1.00 0.00 O ATOM 1455 CB ASN A 99 -6.249 -12.865 4.331 1.00 0.00 C ATOM 1456 CG ASN A 99 -7.755 -12.723 4.227 1.00 0.00 C ATOM 1457 OD1 ASN A 99 -8.347 -13.013 3.187 1.00 0.00 O ATOM 1458 ND2 ASN A 99 -8.383 -12.274 5.308 1.00 0.00 N ATOM 0 H ASN A 99 -3.633 -12.776 3.736 1.00 0.00 H new ATOM 0 HA ASN A 99 -6.088 -13.682 2.349 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -6.010 -13.763 4.900 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -5.844 -12.019 4.886 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -9.396 -12.157 5.298 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -7.852 -12.046 6.148 1.00 0.00 H new ATOM 1465 N LYS A 100 -5.958 -11.617 0.964 1.00 0.00 N ATOM 1466 CA LYS A 100 -6.078 -10.395 0.178 1.00 0.00 C ATOM 1467 C LYS A 100 -7.119 -9.459 0.785 1.00 0.00 C ATOM 1468 O LYS A 100 -7.130 -8.261 0.501 1.00 0.00 O ATOM 1469 CB LYS A 100 -6.458 -10.728 -1.267 1.00 0.00 C ATOM 1470 CG LYS A 100 -5.277 -11.155 -2.122 1.00 0.00 C ATOM 1471 CD LYS A 100 -4.200 -10.085 -2.160 1.00 0.00 C ATOM 1472 CE LYS A 100 -3.200 -10.340 -3.277 1.00 0.00 C ATOM 1473 NZ LYS A 100 -2.386 -11.562 -3.025 1.00 0.00 N ATOM 0 H LYS A 100 -6.114 -12.475 0.435 1.00 0.00 H new ATOM 0 HA LYS A 100 -5.112 -9.891 0.186 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.201 -11.525 -1.264 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.928 -9.856 -1.721 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -4.858 -12.081 -1.728 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.618 -11.365 -3.136 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -4.662 -9.108 -2.300 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -3.679 -10.058 -1.203 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -3.731 -10.446 -4.223 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -2.540 -9.478 -3.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -1.866 -11.817 -3.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -1.711 -11.377 -2.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -3.012 -12.347 -2.754 1.00 0.00 H new ATOM 1487 N ASN A 101 -7.990 -10.012 1.622 1.00 0.00 N ATOM 1488 CA ASN A 101 -9.034 -9.226 2.269 1.00 0.00 C ATOM 1489 C ASN A 101 -8.504 -8.555 3.533 1.00 0.00 C ATOM 1490 O ASN A 101 -9.002 -7.508 3.948 1.00 0.00 O ATOM 1491 CB ASN A 101 -10.231 -10.114 2.614 1.00 0.00 C ATOM 1492 CG ASN A 101 -11.251 -10.171 1.492 1.00 0.00 C ATOM 1493 OD1 ASN A 101 -12.229 -9.424 1.490 1.00 0.00 O ATOM 1494 ND2 ASN A 101 -11.025 -11.060 0.532 1.00 0.00 N ATOM 0 H ASN A 101 -7.994 -11.002 1.868 1.00 0.00 H new ATOM 0 HA ASN A 101 -9.354 -8.451 1.573 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -9.880 -11.122 2.834 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -10.710 -9.738 3.518 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -11.676 -11.144 -0.249 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -10.200 -11.659 0.575 1.00 0.00 H new ATOM 1501 N LYS A 102 -7.491 -9.164 4.140 1.00 0.00 N ATOM 1502 CA LYS A 102 -6.892 -8.626 5.355 1.00 0.00 C ATOM 1503 C LYS A 102 -5.369 -8.666 5.274 1.00 0.00 C ATOM 1504 O LYS A 102 -4.731 -9.659 5.624 1.00 0.00 O ATOM 1505 CB LYS A 102 -7.369 -9.415 6.576 1.00 0.00 C ATOM 1506 CG LYS A 102 -8.870 -9.647 6.602 1.00 0.00 C ATOM 1507 CD LYS A 102 -9.292 -10.427 7.835 1.00 0.00 C ATOM 1508 CE LYS A 102 -10.576 -11.205 7.590 1.00 0.00 C ATOM 1509 NZ LYS A 102 -11.784 -10.401 7.921 1.00 0.00 N ATOM 0 H LYS A 102 -7.068 -10.031 3.810 1.00 0.00 H new ATOM 0 HA LYS A 102 -7.206 -7.587 5.456 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -6.860 -10.379 6.597 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -7.077 -8.881 7.480 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -9.388 -8.688 6.582 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -9.171 -10.190 5.706 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -8.497 -11.116 8.121 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -9.435 -9.741 8.670 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -10.620 -11.513 6.545 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -10.570 -12.115 8.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -12.638 -10.967 7.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -11.755 -10.128 8.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -11.804 -9.545 7.330 1.00 0.00 H new ATOM 1523 N PRO A 103 -4.771 -7.561 4.803 1.00 0.00 N ATOM 1524 CA PRO A 103 -3.316 -7.445 4.667 1.00 0.00 C ATOM 1525 C PRO A 103 -2.612 -7.369 6.017 1.00 0.00 C ATOM 1526 O PRO A 103 -3.259 -7.347 7.064 1.00 0.00 O ATOM 1527 CB PRO A 103 -3.135 -6.136 3.895 1.00 0.00 C ATOM 1528 CG PRO A 103 -4.357 -5.342 4.204 1.00 0.00 C ATOM 1529 CD PRO A 103 -5.470 -6.340 4.367 1.00 0.00 C ATOM 0 HA PRO A 103 -2.883 -8.313 4.169 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -2.232 -5.612 4.210 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -3.041 -6.318 2.824 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -4.222 -4.756 5.113 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -4.578 -4.638 3.401 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -6.201 -6.010 5.105 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -6.009 -6.497 3.433 1.00 0.00 H new ATOM 1537 N GLU A 104 -1.284 -7.328 5.986 1.00 0.00 N ATOM 1538 CA GLU A 104 -0.493 -7.254 7.209 1.00 0.00 C ATOM 1539 C GLU A 104 0.030 -5.838 7.434 1.00 0.00 C ATOM 1540 O GLU A 104 0.183 -5.064 6.489 1.00 0.00 O ATOM 1541 CB GLU A 104 0.677 -8.237 7.146 1.00 0.00 C ATOM 1542 CG GLU A 104 0.248 -9.684 6.967 1.00 0.00 C ATOM 1543 CD GLU A 104 1.420 -10.616 6.731 1.00 0.00 C ATOM 1544 OE1 GLU A 104 2.329 -10.656 7.586 1.00 0.00 O ATOM 1545 OE2 GLU A 104 1.429 -11.305 5.690 1.00 0.00 O ATOM 0 H GLU A 104 -0.733 -7.345 5.128 1.00 0.00 H new ATOM 0 HA GLU A 104 -1.139 -7.522 8.045 1.00 0.00 H new ATOM 0 HB2 GLU A 104 1.332 -7.956 6.321 1.00 0.00 H new ATOM 0 HB3 GLU A 104 1.262 -8.151 8.061 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -0.297 -10.009 7.853 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -0.441 -9.753 6.125 1.00 0.00 H new ATOM 1552 N ASP A 105 0.301 -5.507 8.691 1.00 0.00 N ATOM 1553 CA ASP A 105 0.807 -4.185 9.042 1.00 0.00 C ATOM 1554 C ASP A 105 2.300 -4.079 8.749 1.00 0.00 C ATOM 1555 O ASP A 105 3.127 -4.631 9.476 1.00 0.00 O ATOM 1556 CB ASP A 105 0.543 -3.890 10.519 1.00 0.00 C ATOM 1557 CG ASP A 105 -0.881 -4.210 10.928 1.00 0.00 C ATOM 1558 OD1 ASP A 105 -1.793 -3.440 10.559 1.00 0.00 O ATOM 1559 OD2 ASP A 105 -1.085 -5.232 11.616 1.00 0.00 O ATOM 0 H ASP A 105 0.179 -6.136 9.485 1.00 0.00 H new ATOM 0 HA ASP A 105 0.282 -3.449 8.433 1.00 0.00 H new ATOM 0 HB2 ASP A 105 1.233 -4.471 11.131 1.00 0.00 H new ATOM 0 HB3 ASP A 105 0.748 -2.838 10.719 1.00 0.00 H new ATOM 1564 N TYR A 106 2.639 -3.368 7.679 1.00 0.00 N ATOM 1565 CA TYR A 106 4.032 -3.193 7.287 1.00 0.00 C ATOM 1566 C TYR A 106 4.838 -2.551 8.412 1.00 0.00 C ATOM 1567 O TYR A 106 4.719 -1.353 8.669 1.00 0.00 O ATOM 1568 CB TYR A 106 4.125 -2.335 6.024 1.00 0.00 C ATOM 1569 CG TYR A 106 5.542 -2.112 5.546 1.00 0.00 C ATOM 1570 CD1 TYR A 106 6.365 -1.177 6.163 1.00 0.00 C ATOM 1571 CD2 TYR A 106 6.058 -2.836 4.478 1.00 0.00 C ATOM 1572 CE1 TYR A 106 7.660 -0.970 5.729 1.00 0.00 C ATOM 1573 CE2 TYR A 106 7.352 -2.636 4.039 1.00 0.00 C ATOM 1574 CZ TYR A 106 8.149 -1.702 4.667 1.00 0.00 C ATOM 1575 OH TYR A 106 9.439 -1.499 4.232 1.00 0.00 O ATOM 0 H TYR A 106 1.968 -2.903 7.068 1.00 0.00 H new ATOM 0 HA TYR A 106 4.451 -4.178 7.080 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.553 -2.812 5.228 1.00 0.00 H new ATOM 0 HB3 TYR A 106 3.659 -1.369 6.216 1.00 0.00 H new ATOM 0 HD1 TYR A 106 5.986 -0.603 6.995 1.00 0.00 H new ATOM 0 HD2 TYR A 106 5.437 -3.567 3.983 1.00 0.00 H new ATOM 0 HE1 TYR A 106 8.286 -0.239 6.219 1.00 0.00 H new ATOM 0 HE2 TYR A 106 7.738 -3.208 3.208 1.00 0.00 H new ATOM 0 HH TYR A 106 9.946 -2.334 4.310 1.00 0.00 H new ATOM 1654 N GLY A 112 13.232 2.442 0.136 1.00 0.00 N ATOM 1655 CA GLY A 112 13.241 1.561 -1.018 1.00 0.00 C ATOM 1656 C GLY A 112 14.039 0.295 -0.774 1.00 0.00 C ATOM 1657 O GLY A 112 13.764 -0.744 -1.372 1.00 0.00 O ATOM 0 HA2 GLY A 112 12.216 1.296 -1.277 1.00 0.00 H new ATOM 0 HA3 GLY A 112 13.659 2.092 -1.873 1.00 0.00 H new ATOM 1661 N GLU A 113 15.032 0.383 0.106 1.00 0.00 N ATOM 1662 CA GLU A 113 15.873 -0.764 0.425 1.00 0.00 C ATOM 1663 C GLU A 113 15.135 -1.745 1.331 1.00 0.00 C ATOM 1664 O GLU A 113 14.937 -2.906 0.976 1.00 0.00 O ATOM 1665 CB GLU A 113 17.167 -0.304 1.100 1.00 0.00 C ATOM 1666 CG GLU A 113 17.601 1.095 0.695 1.00 0.00 C ATOM 1667 CD GLU A 113 17.403 1.361 -0.785 1.00 0.00 C ATOM 1668 OE1 GLU A 113 18.013 0.643 -1.604 1.00 0.00 O ATOM 1669 OE2 GLU A 113 16.638 2.289 -1.123 1.00 0.00 O ATOM 0 H GLU A 113 15.273 1.236 0.610 1.00 0.00 H new ATOM 0 HA GLU A 113 16.119 -1.272 -0.508 1.00 0.00 H new ATOM 0 HB2 GLU A 113 17.034 -0.335 2.181 1.00 0.00 H new ATOM 0 HB3 GLU A 113 17.964 -1.007 0.857 1.00 0.00 H new ATOM 0 HG2 GLU A 113 17.036 1.828 1.271 1.00 0.00 H new ATOM 0 HG3 GLU A 113 18.652 1.233 0.948 1.00 0.00 H new ATOM 1676 N ALA A 114 14.731 -1.269 2.504 1.00 0.00 N ATOM 1677 CA ALA A 114 14.014 -2.102 3.461 1.00 0.00 C ATOM 1678 C ALA A 114 12.787 -2.742 2.820 1.00 0.00 C ATOM 1679 O ALA A 114 12.521 -3.929 3.016 1.00 0.00 O ATOM 1680 CB ALA A 114 13.609 -1.281 4.677 1.00 0.00 C ATOM 0 H ALA A 114 14.888 -0.310 2.814 1.00 0.00 H new ATOM 0 HA ALA A 114 14.683 -2.901 3.782 1.00 0.00 H new ATOM 0 HB1 ALA A 114 13.074 -1.916 5.383 1.00 0.00 H new ATOM 0 HB2 ALA A 114 14.500 -0.876 5.156 1.00 0.00 H new ATOM 0 HB3 ALA A 114 12.962 -0.462 4.364 1.00 0.00 H new ATOM 1686 N ILE A 115 12.044 -1.950 2.056 1.00 0.00 N ATOM 1687 CA ILE A 115 10.845 -2.441 1.386 1.00 0.00 C ATOM 1688 C ILE A 115 11.155 -3.667 0.535 1.00 0.00 C ATOM 1689 O ILE A 115 10.441 -4.670 0.588 1.00 0.00 O ATOM 1690 CB ILE A 115 10.215 -1.356 0.493 1.00 0.00 C ATOM 1691 CG1 ILE A 115 9.930 -0.094 1.311 1.00 0.00 C ATOM 1692 CG2 ILE A 115 8.939 -1.876 -0.151 1.00 0.00 C ATOM 1693 CD1 ILE A 115 10.064 1.185 0.515 1.00 0.00 C ATOM 0 H ILE A 115 12.250 -0.966 1.885 1.00 0.00 H new ATOM 0 HA ILE A 115 10.136 -2.714 2.167 1.00 0.00 H new ATOM 0 HB ILE A 115 10.920 -1.102 -0.298 1.00 0.00 H new ATOM 0 HG12 ILE A 115 8.921 -0.155 1.718 1.00 0.00 H new ATOM 0 HG13 ILE A 115 10.614 -0.058 2.159 1.00 0.00 H new ATOM 0 HG21 ILE A 115 8.505 -1.098 -0.779 1.00 0.00 H new ATOM 0 HG22 ILE A 115 9.169 -2.749 -0.762 1.00 0.00 H new ATOM 0 HG23 ILE A 115 8.227 -2.154 0.626 1.00 0.00 H new ATOM 0 HD11 ILE A 115 9.848 2.038 1.158 1.00 0.00 H new ATOM 0 HD12 ILE A 115 11.080 1.269 0.130 1.00 0.00 H new ATOM 0 HD13 ILE A 115 9.361 1.171 -0.318 1.00 0.00 H new ATOM 1705 N VAL A 116 12.224 -3.582 -0.250 1.00 0.00 N ATOM 1706 CA VAL A 116 12.631 -4.686 -1.111 1.00 0.00 C ATOM 1707 C VAL A 116 12.790 -5.976 -0.313 1.00 0.00 C ATOM 1708 O VAL A 116 12.383 -7.048 -0.759 1.00 0.00 O ATOM 1709 CB VAL A 116 13.955 -4.376 -1.835 1.00 0.00 C ATOM 1710 CG1 VAL A 116 14.549 -5.644 -2.428 1.00 0.00 C ATOM 1711 CG2 VAL A 116 13.738 -3.323 -2.911 1.00 0.00 C ATOM 0 H VAL A 116 12.824 -2.759 -0.308 1.00 0.00 H new ATOM 0 HA VAL A 116 11.843 -4.816 -1.852 1.00 0.00 H new ATOM 0 HB VAL A 116 14.663 -3.979 -1.108 1.00 0.00 H new ATOM 0 HG11 VAL A 116 15.484 -5.405 -2.935 1.00 0.00 H new ATOM 0 HG12 VAL A 116 14.742 -6.363 -1.631 1.00 0.00 H new ATOM 0 HG13 VAL A 116 13.848 -6.074 -3.143 1.00 0.00 H new ATOM 0 HG21 VAL A 116 14.683 -3.115 -3.413 1.00 0.00 H new ATOM 0 HG22 VAL A 116 13.014 -3.690 -3.638 1.00 0.00 H new ATOM 0 HG23 VAL A 116 13.361 -2.408 -2.454 1.00 0.00 H new ATOM 1721 N ASP A 117 13.386 -5.863 0.869 1.00 0.00 N ATOM 1722 CA ASP A 117 13.598 -7.020 1.731 1.00 0.00 C ATOM 1723 C ASP A 117 12.288 -7.471 2.368 1.00 0.00 C ATOM 1724 O ASP A 117 12.083 -8.659 2.614 1.00 0.00 O ATOM 1725 CB ASP A 117 14.622 -6.691 2.819 1.00 0.00 C ATOM 1726 CG ASP A 117 15.363 -7.920 3.307 1.00 0.00 C ATOM 1727 OD1 ASP A 117 16.194 -8.454 2.543 1.00 0.00 O ATOM 1728 OD2 ASP A 117 15.111 -8.349 4.453 1.00 0.00 O ATOM 0 H ASP A 117 13.731 -4.983 1.252 1.00 0.00 H new ATOM 0 HA ASP A 117 13.981 -7.835 1.116 1.00 0.00 H new ATOM 0 HB2 ASP A 117 15.340 -5.968 2.432 1.00 0.00 H new ATOM 0 HB3 ASP A 117 14.115 -6.218 3.660 1.00 0.00 H new ATOM 1733 N ALA A 118 11.405 -6.514 2.634 1.00 0.00 N ATOM 1734 CA ALA A 118 10.114 -6.813 3.241 1.00 0.00 C ATOM 1735 C ALA A 118 9.220 -7.587 2.279 1.00 0.00 C ATOM 1736 O ALA A 118 8.611 -8.589 2.652 1.00 0.00 O ATOM 1737 CB ALA A 118 9.429 -5.528 3.684 1.00 0.00 C ATOM 0 H ALA A 118 11.560 -5.525 2.439 1.00 0.00 H new ATOM 0 HA ALA A 118 10.288 -7.439 4.116 1.00 0.00 H new ATOM 0 HB1 ALA A 118 8.466 -5.766 4.136 1.00 0.00 H new ATOM 0 HB2 ALA A 118 10.055 -5.015 4.414 1.00 0.00 H new ATOM 0 HB3 ALA A 118 9.275 -4.881 2.820 1.00 0.00 H new ATOM 1743 N ALA A 119 9.145 -7.116 1.038 1.00 0.00 N ATOM 1744 CA ALA A 119 8.327 -7.765 0.022 1.00 0.00 C ATOM 1745 C ALA A 119 8.787 -9.198 -0.221 1.00 0.00 C ATOM 1746 O ALA A 119 7.972 -10.117 -0.309 1.00 0.00 O ATOM 1747 CB ALA A 119 8.366 -6.969 -1.274 1.00 0.00 C ATOM 0 H ALA A 119 9.642 -6.287 0.713 1.00 0.00 H new ATOM 0 HA ALA A 119 7.300 -7.798 0.385 1.00 0.00 H new ATOM 0 HB1 ALA A 119 7.751 -7.465 -2.024 1.00 0.00 H new ATOM 0 HB2 ALA A 119 7.982 -5.965 -1.096 1.00 0.00 H new ATOM 0 HB3 ALA A 119 9.394 -6.906 -1.632 1.00 0.00 H new ATOM 1753 N LEU A 120 10.099 -9.383 -0.329 1.00 0.00 N ATOM 1754 CA LEU A 120 10.668 -10.705 -0.562 1.00 0.00 C ATOM 1755 C LEU A 120 10.399 -11.631 0.620 1.00 0.00 C ATOM 1756 O LEU A 120 9.847 -12.719 0.457 1.00 0.00 O ATOM 1757 CB LEU A 120 12.174 -10.598 -0.807 1.00 0.00 C ATOM 1758 CG LEU A 120 12.597 -9.815 -2.051 1.00 0.00 C ATOM 1759 CD1 LEU A 120 13.949 -9.153 -1.831 1.00 0.00 C ATOM 1760 CD2 LEU A 120 12.640 -10.728 -3.267 1.00 0.00 C ATOM 0 H LEU A 120 10.788 -8.634 -0.259 1.00 0.00 H new ATOM 0 HA LEU A 120 10.191 -11.127 -1.446 1.00 0.00 H new ATOM 0 HB2 LEU A 120 12.632 -10.131 0.065 1.00 0.00 H new ATOM 0 HB3 LEU A 120 12.583 -11.606 -0.880 1.00 0.00 H new ATOM 0 HG LEU A 120 11.859 -9.034 -2.234 1.00 0.00 H new ATOM 0 HD11 LEU A 120 14.234 -8.601 -2.726 1.00 0.00 H new ATOM 0 HD12 LEU A 120 13.885 -8.467 -0.986 1.00 0.00 H new ATOM 0 HD13 LEU A 120 14.698 -9.917 -1.622 1.00 0.00 H new ATOM 0 HD21 LEU A 120 12.943 -10.154 -4.143 1.00 0.00 H new ATOM 0 HD22 LEU A 120 13.357 -11.531 -3.094 1.00 0.00 H new ATOM 0 HD23 LEU A 120 11.651 -11.154 -3.437 1.00 0.00 H new ATOM 1772 N SER A 121 10.790 -11.189 1.812 1.00 0.00 N ATOM 1773 CA SER A 121 10.592 -11.979 3.022 1.00 0.00 C ATOM 1774 C SER A 121 9.192 -12.583 3.053 1.00 0.00 C ATOM 1775 O SER A 121 9.017 -13.756 3.383 1.00 0.00 O ATOM 1776 CB SER A 121 10.815 -11.112 4.263 1.00 0.00 C ATOM 1777 OG SER A 121 11.208 -11.902 5.372 1.00 0.00 O ATOM 0 H SER A 121 11.245 -10.289 1.965 1.00 0.00 H new ATOM 0 HA SER A 121 11.318 -12.792 3.020 1.00 0.00 H new ATOM 0 HB2 SER A 121 11.580 -10.364 4.056 1.00 0.00 H new ATOM 0 HB3 SER A 121 9.899 -10.572 4.503 1.00 0.00 H new ATOM 0 HG SER A 121 11.346 -11.325 6.152 1.00 0.00 H new ATOM 1783 N ALA A 122 8.197 -11.773 2.708 1.00 0.00 N ATOM 1784 CA ALA A 122 6.812 -12.226 2.695 1.00 0.00 C ATOM 1785 C ALA A 122 6.552 -13.162 1.519 1.00 0.00 C ATOM 1786 O ALA A 122 5.903 -14.198 1.668 1.00 0.00 O ATOM 1787 CB ALA A 122 5.866 -11.035 2.643 1.00 0.00 C ATOM 0 H ALA A 122 8.325 -10.799 2.434 1.00 0.00 H new ATOM 0 HA ALA A 122 6.629 -12.781 3.615 1.00 0.00 H new ATOM 0 HB1 ALA A 122 4.835 -11.389 2.634 1.00 0.00 H new ATOM 0 HB2 ALA A 122 6.025 -10.405 3.518 1.00 0.00 H new ATOM 0 HB3 ALA A 122 6.059 -10.456 1.740 1.00 0.00 H new